3-benzhydrylpiperidin-4-one;hydrochloride

C18H20ClNO — CID 23025370

IUPAC3-benzhydrylpiperidin-4-one;hydrochloride
SMILESCl.O=C1CCNCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO.ClH/c20-17-11-12-19-13-16(17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;/h1-10,16,18-19H,11-13H2;1H
InChIKeyJQRYPYRNRXAOFZ-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.42
Rot. Bonds3

About 3-benzhydrylpiperidin-4-one;hydrochloride

3-benzhydrylpiperidin-4-one;hydrochloride (PubChem CID 23025370) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-benzhydrylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-benzhydrylpiperidin-4-one;hydrochloride
PubChem CID23025370
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-benzhydrylpiperidin-4-one;hydrochloride
SMILESCl.O=C1CCNCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO.ClH/c20-17-11-12-19-13-16(17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;/h1-10,16,18-19H,11-13H2;1H
InChIKeyJQRYPYRNRXAOFZ-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-benzhydrylpiperidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
CID 56668292
3-(3,3-dimethylbutan-2-yl)piperidin-4-one
CID 175437276
(3R)-3-benzhydryl-1-benzylpiperidin-4-one
CID 86328824
1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride
CID 142257992
4-benzhydryl-3-methylpiperidine
CID 56617151
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
3-(2-chlorophenyl)piperidin-4-one;hydrochloride
CID 121230745
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120839154

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylpiperidin-4-one;hydrochloride?
The IUPAC name of 3-benzhydrylpiperidin-4-one;hydrochloride (CID 23025370) is 3-benzhydrylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 3-benzhydrylpiperidin-4-one;hydrochloride?
The canonical SMILES for 3-benzhydrylpiperidin-4-one;hydrochloride is Cl.O=C1CCNCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydrylpiperidin-4-one;hydrochloride?
The InChIKey is JQRYPYRNRXAOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.ClH/c20-17-11-12-19-13-16(17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;/h1-10,16,18-19H,11-13H2;1H.
What are the key properties of 3-benzhydrylpiperidin-4-one;hydrochloride?
3-benzhydrylpiperidin-4-one;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 23025370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).