1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

C20H24ClNO — CID 2797790

IUPAC1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO.ClH/c22-20(13-16-21-14-5-2-6-15-21)19-11-9-18(10-12-19)17-7-3-1-4-8-17;/h1,3-4,7-12H,2,5-6,13-16H2;1H
InChIKeyYSPDYLRBLAGXAI-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.83
Rot. Bonds5

About 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 2797790) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID2797790
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO.ClH/c22-20(13-16-21-14-5-2-6-15-21)19-11-9-18(10-12-19)17-7-3-1-4-8-17;/h1,3-4,7-12H,2,5-6,13-16H2;1H
InChIKeyYSPDYLRBLAGXAI-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5511
Melperone
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Eperisone
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Tolperisone Hydrochloride
CID 92965
Melperone hydrochloride
CID 9926325
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
Lenperone
CID 32593
Norpipanone
CID 22391
3-Piperidinopropiophenone hydrochloride
CID 70171
Dipipanone
CID 13331
1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone
CID 65860

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride (CID 2797790) is 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is YSPDYLRBLAGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.ClH/c22-20(13-16-21-14-5-2-6-15-21)19-11-9-18(10-12-19)17-7-3-1-4-8-17;/h1,3-4,7-12H,2,5-6,13-16H2;1H.
What are the key properties of 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 2797790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).