1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one

C21H26N2O — CID 119563055

IUPAC1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCNC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-22-19-12-14-23(15-13-19)21(24)16-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20,22H,12-16H2,1H3
InChIKeyJJEKXYSFIFTPBK-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.42
Rot. Bonds5

About 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one

1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 119563055) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID119563055
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCNC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-22-19-12-14-23(15-13-19)21(24)16-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20,22H,12-16H2,1H3
InChIKeyJJEKXYSFIFTPBK-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
CID 119560060
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 72877580
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
1-[4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119560859
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 54408346
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
1-[4-(methylamino)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119560149

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one (CID 119563055) is 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one is CNC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is JJEKXYSFIFTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22-19-12-14-23(15-13-19)21(24)16-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20,22H,12-16H2,1H3.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 322.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 119563055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).