A1AA7

1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one

Created:	2024-01-04
Last modified:	2024-01-24

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1 entries where A1AA7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	6

2D diagram of A1AA7

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Chemical Component Summary
Name	1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one
Systematic Name (OpenEye OEToolkits)	2-methyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one
Formula	C₁₆ H₂₃ N O
Molecular Weight	245.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C(C)C)N1CCC(Cc2ccccc2)CC1
SMILES	CACTVS	3.385	CC(C)C(=O)N1CCC(CC1)Cc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(=O)N1CCC(CC1)Cc2ccccc2
Canonical SMILES	CACTVS	3.385	CC(C)C(=O)N1CCC(CC1)Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(=O)N1CCC(CC1)Cc2ccccc2
InChI	InChI	1.06	InChI=1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKey	InChI	1.06	VACPZZBFCLJGKU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	760213
ChEMBL	CHEMBL1902354

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