1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride

C20H25ClN2O — CID 119562554

IUPAC1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
SMILESCNC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-21-18-12-14-22(15-13-18)20(23)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19,21H,12-15H2,1H3;1H
InChIKeyOGUSQLXNROPQNA-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.45
Rot. Bonds4

About 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride

1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride (PubChem CID 119562554) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
PubChem CID119562554
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
SMILESCNC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-21-18-12-14-22(15-13-18)20(23)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19,21H,12-15H2,1H3;1H
InChIKeyOGUSQLXNROPQNA-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119562919
4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
CID 119560060
1-(2,2-diphenylacetyl)-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 74824215

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride (CID 119562554) is 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride is CNC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The InChIKey is OGUSQLXNROPQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-21-18-12-14-22(15-13-18)20(23)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19,21H,12-15H2,1H3;1H.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 3.45, 4 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]-2,2-diphenylethanone;hydrochloride is sourced from PubChem (CID 119562554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).