2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride

C19H23ClN2O — CID 119703042

IUPAC2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O.ClH/c22-19(15-20-18-9-5-2-6-10-18)21-13-11-17(12-14-21)16-7-3-1-4-8-16;/h1-10,17,20H,11-15H2;1H
InChIKeyZCGQRSZDTKGDAF-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.93
Rot. Bonds4

About 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride

2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119703042) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119703042
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O.ClH/c22-19(15-20-18-9-5-2-6-10-18)21-13-11-17(12-14-21)16-7-3-1-4-8-16;/h1-10,17,20H,11-15H2;1H
InChIKeyZCGQRSZDTKGDAF-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
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2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
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methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylacetic acid
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2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
CID 119768979
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
3,3-dimethyl-1-(4-phenylpiperidin-1-yl)pent-4-en-1-one
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2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride (CID 119703042) is 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride is Cl.O=C(CNc1ccccc1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is ZCGQRSZDTKGDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c22-19(15-20-18-9-5-2-6-10-18)21-13-11-17(12-14-21)16-7-3-1-4-8-16;/h1-10,17,20H,11-15H2;1H.
What are the key properties of 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride?
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119703042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).