(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one

C23H29NO — CID 92757331

IUPAC(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCC[C@H](C)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29NO/c1-3-18(2)23(25)24-15-13-20(14-16-24)17-19-9-11-22(12-10-19)21-7-5-4-6-8-21/h4-12,18,20H,3,13-17H2,1-2H3/t18-/m0/s1
InChIKeyUSZGHDPQMCFBQL-SFHVURJKSA-N
MW335.49 g/mol
LogP5.18
Rot. Bonds5

About (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one

(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 92757331) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
PubChem CID92757331
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCC[C@H](C)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29NO/c1-3-18(2)23(25)24-15-13-20(14-16-24)17-19-9-11-22(12-10-19)21-7-5-4-6-8-21/h4-12,18,20H,3,13-17H2,1-2H3/t18-/m0/s1
InChIKeyUSZGHDPQMCFBQL-SFHVURJKSA-N
XLogP5.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479897
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
(2R)-1-(4-benzylpiperidin-1-yl)-2-phenylsulfanylpropan-1-one
CID 2575053
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one (CID 92757331) is (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one is CC[C@H](C)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is USZGHDPQMCFBQL-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-18(2)23(25)24-15-13-20(14-16-24)17-19-9-11-22(12-10-19)21-7-5-4-6-8-21/h4-12,18,20H,3,13-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one?
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 335.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 92757331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).