4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one

C28H30ClNO2 — CID 23365028

IUPAC4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one
SMILESCc1ccc(C(=O)CCC(c2ccccc2)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C28H30ClNO2/c1-21-7-9-23(10-8-21)27(31)16-15-26(22-5-3-2-4-6-22)30-19-17-28(32,18-20-30)24-11-13-25(29)14-12-24/h2-14,26,32H,15-20H2,1H3
InChIKeyGFVJVNGRTDAKEN-UHFFFAOYSA-N
MW448.01 g/mol
LogP6.34
Rot. Bonds7

About 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one (PubChem CID 23365028) has the molecular formula C28H30ClNO2 and a molecular weight of 448.01 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one
PubChem CID23365028
Molecular FormulaC28H30ClNO2
Molecular Weight448.01 g/mol
Exact Mass447.20
IUPAC Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one
SMILESCc1ccc(C(=O)CCC(c2ccccc2)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C28H30ClNO2/c1-21-7-9-23(10-8-21)27(31)16-15-26(22-5-3-2-4-6-22)30-19-17-28(32,18-20-30)24-11-13-25(29)14-12-24/h2-14,26,32H,15-20H2,1H3
InChIKeyGFVJVNGRTDAKEN-UHFFFAOYSA-N
XLogP6.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.01
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one with MolForge

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Related Compounds

4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11648468
1-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-2,2-diphenylethanone
CID 143894081
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 124876525
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid
CID 86285536
(E)-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-phenylbut-3-enoic acid
CID 10177259
4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11705066
N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide
CID 67718945
1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol
CID 72949869
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide;hydrochloride
CID 22129672
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3,4-dichlorophenyl)butan-1-one
CID 169436638

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one (CID 23365028) is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one is Cc1ccc(C(=O)CCC(c2ccccc2)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one?
The InChIKey is GFVJVNGRTDAKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClNO2/c1-21-7-9-23(10-8-21)27(31)16-15-26(22-5-3-2-4-6-22)30-19-17-28(32,18-20-30)24-11-13-25(29)14-12-24/h2-14,26,32H,15-20H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one?
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one has a molecular weight of 448.01 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 23365028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).