1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone

C25H25NO — CID 18423529

IUPAC1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCCC1c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H25NO/c27-25(23-11-5-2-6-12-23)19-26-18-8-7-13-24(26)22-16-14-21(15-17-22)20-9-3-1-4-10-20/h1-6,9-12,14-17,24H,7-8,13,18-19H2
InChIKeyKVVYRYSHGLQICO-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.76
Rot. Bonds5

About 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone

1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone (PubChem CID 18423529) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone
PubChem CID18423529
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCCC1c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H25NO/c27-25(23-11-5-2-6-12-23)19-26-18-8-7-13-24(26)22-16-14-21(15-17-22)20-9-3-1-4-10-20/h1-6,9-12,14-17,24H,7-8,13,18-19H2
InChIKeyKVVYRYSHGLQICO-UHFFFAOYSA-N
XLogP5.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
CID 54069668
(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide
CID 141249488
1-phenacylpiperidine-2-carboxamide
CID 60681003
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
benzoic acid;3-(2-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
CID 21153815
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
2-[2-(4-chlorophenyl)azepan-1-yl]acetic acid
CID 119135905
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
1-ethyl-2-phenylazepane
CID 59678181
2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 37301071

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone (CID 18423529) is 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone is O=C(CN1CCCCC1c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone?
The InChIKey is KVVYRYSHGLQICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c27-25(23-11-5-2-6-12-23)19-26-18-8-7-13-24(26)22-16-14-21(15-17-22)20-9-3-1-4-10-20/h1-6,9-12,14-17,24H,7-8,13,18-19H2.
What are the key properties of 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone?
1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone has a molecular weight of 355.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 18423529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).