5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile

C22H24ClFN2O — CID 10596333

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F
InChIInChI=1S/C22H24ClFN2O/c23-19-9-7-18(8-10-19)22(27)11-14-26(15-12-22)13-3-4-17(16-25)20-5-1-2-6-21(20)24/h1-2,5-10,17,27H,3-4,11-15H2
InChIKeyMDJMIGNIFRZFMQ-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.85
Rot. Bonds6

About 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile (PubChem CID 10596333) has the molecular formula C22H24ClFN2O and a molecular weight of 386.90 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile
PubChem CID10596333
Molecular FormulaC22H24ClFN2O
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F
InChIInChI=1S/C22H24ClFN2O/c23-19-9-7-18(8-10-19)22(27)11-14-26(15-12-22)13-3-4-17(16-25)20-5-1-2-6-21(20)24/h1-2,5-10,17,27H,3-4,11-15H2
InChIKeyMDJMIGNIFRZFMQ-UHFFFAOYSA-N
XLogP4.85
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Penfluridol
CID 33630
Eliprodil
CID 60703
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
3-Quinuclidinemethanol, alpha-(p-chlorophenyl)-alpha-phenyl-
CID 3044816
Thioketal haloperidol
CID 127702
5-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
CID 9889700
(+)-(S)-Eliprodil
CID 14622158
Dihydrohaloperidol, (S)-
CID 16048564
Eliprodil, (R)-
CID 9798372
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
2-[3-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 9956380

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile (CID 10596333) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile is N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile?
The InChIKey is MDJMIGNIFRZFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O/c23-19-9-7-18(8-10-19)22(27)11-14-26(15-12-22)13-3-4-17(16-25)20-5-1-2-6-21(20)24/h1-2,5-10,17,27H,3-4,11-15H2.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile has a molecular weight of 386.90 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-fluorophenyl)pentanenitrile is sourced from PubChem (CID 10596333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).