2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride

C20H24ClNO — CID 71325990

IUPAC2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride
SMILESCC(C)C1C(=O)CC(c2ccccc2)NC1c1ccccc1.Cl
InChIInChI=1S/C20H23NO.ClH/c1-14(2)19-18(22)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16;/h3-12,14,17,19-21H,13H2,1-2H3;1H
InChIKeyRSLNFLPNXLFZLG-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.73
Rot. Bonds3

About 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride

2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride (PubChem CID 71325990) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride
PubChem CID71325990
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride
SMILESCC(C)C1C(=O)CC(c2ccccc2)NC1c1ccccc1.Cl
InChIInChI=1S/C20H23NO.ClH/c1-14(2)19-18(22)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16;/h3-12,14,17,19-21H,13H2,1-2H3;1H
InChIKeyRSLNFLPNXLFZLG-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(4-bromophenyl)-3-propan-2-ylpiperidin-4-one
CID 4689702
(2S,3R,6R)-3-(2-chloroethyl)-2,6-diphenylpiperidin-4-one
CID 139088514
3-butyl-2,6-diphenylpiperidin-4-one
CID 13185090
ethyl 2-[(2S,3S,6S)-4-oxo-2,6-diphenylpiperidin-3-yl]acetate
CID 92961114
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 100836349
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
(NZ)-N-[(2R,3R,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 7243018
(NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 5400258
3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride
CID 2729799
N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-yl)-2,2-diphenylacetamide
CID 45034565
methyl (2S,3S,6S)-2-methyl-4-oxo-6-phenylpiperidine-3-carboxylate
CID 102519097

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride?
The IUPAC name of 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride (CID 71325990) is 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride?
The canonical SMILES for 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride is CC(C)C1C(=O)CC(c2ccccc2)NC1c1ccccc1.Cl.
What is the InChIKey of 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride?
The InChIKey is RSLNFLPNXLFZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.ClH/c1-14(2)19-18(22)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16;/h3-12,14,17,19-21H,13H2,1-2H3;1H.
What are the key properties of 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride?
2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 71325990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).