1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol

C28H32ClFN2O — CID 139792713

IUPAC1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESNCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C28H32ClFN2O/c29-25-11-7-24(8-12-25)28(33)16-19-32(20-17-28)18-4-15-27(21-31,22-5-2-1-3-6-22)23-9-13-26(30)14-10-23/h1-3,5-14,33H,4,15-21,31H2
InChIKeyGMXUILHKZHKOSM-UHFFFAOYSA-N
MW467.03 g/mol
LogP5.49
Rot. Bonds8

About 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol

1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 139792713) has the molecular formula C28H32ClFN2O and a molecular weight of 467.03 g/mol. Its IUPAC name is 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID139792713
Molecular FormulaC28H32ClFN2O
Molecular Weight467.03 g/mol
Exact Mass466.22
IUPAC Name1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESNCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C28H32ClFN2O/c29-25-11-7-24(8-12-25)28(33)16-19-32(20-17-28)18-4-15-27(21-31,22-5-2-1-3-6-22)23-9-13-26(30)14-10-23/h1-3,5-14,33H,4,15-21,31H2
InChIKeyGMXUILHKZHKOSM-UHFFFAOYSA-N
XLogP5.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.03
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Loperamide
CID 3955
Penfluridol
CID 33630
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
N-Desmethyl Loperamide
CID 9805944
N-Didesmethyl Loperamide
CID 25129795
5-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
CID 9889700
Dihydrohaloperidol, (S)-
CID 16048564
1-Benzhydryl-4-(4-chlorophenyl)piperidin-4-ol
CID 10091033
2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
4-(2-(Aminomethyl)phenyl)-1-((2-chlorophenyl)(phenyl)methyl)piperidin-4-ol
CID 44430042
4-(4-Chlorophenyl)-4-hydroxy-alpha,alpha-diphenyl-1-piperidinebutanenitrile
CID 9845614
5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-propyl}-5H-dibenzo[a,d]cycloheptene-5-carbonitrile
CID 9869274

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol (CID 139792713) is 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol is NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is GMXUILHKZHKOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClFN2O/c29-25-11-7-24(8-12-25)28(33)16-19-32(20-17-28)18-4-15-27(21-31,22-5-2-1-3-6-22)23-9-13-26(30)14-10-23/h1-3,5-14,33H,4,15-21,31H2.
What are the key properties of 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol?
1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 467.03 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 139792713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).