5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile

C19H18ClFN2O — CID 133422042

IUPAC5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN2O/c20-16-3-6-19(15(11-16)12-22)23-9-7-18(8-10-23)24-13-14-1-4-17(21)5-2-14/h1-6,11,18H,7-10,13H2
InChIKeyPDVYPUVQLZPKMP-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.54
Rot. Bonds4

About 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile

5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile (PubChem CID 133422042) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile
PubChem CID133422042
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN2O/c20-16-3-6-19(15(11-16)12-22)23-9-7-18(8-10-23)24-13-14-1-4-17(21)5-2-14/h1-6,11,18H,7-10,13H2
InChIKeyPDVYPUVQLZPKMP-UHFFFAOYSA-N
XLogP4.54
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
CID 133422188
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
CID 28803465
5-chloro-2-[4-(2-fluoroanilino)piperidin-1-yl]benzonitrile
CID 133330842
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
CID 133422205
5-chloro-2-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62918333
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
5-chloro-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]benzonitrile
CID 133302007
5-chloro-2-(4,4-dimethylpiperidin-1-yl)benzonitrile
CID 62930587
5-chloro-2-[4-(2-methylpropyl)piperazin-1-yl]benzonitrile
CID 62776920

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile?
The IUPAC name of 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile (CID 133422042) is 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile.
What is the SMILES notation for 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile?
The canonical SMILES for 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile is N#Cc1cc(Cl)ccc1N1CCC(OCc2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile?
The InChIKey is PDVYPUVQLZPKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c20-16-3-6-19(15(11-16)12-22)23-9-7-18(8-10-23)24-13-14-1-4-17(21)5-2-14/h1-6,11,18H,7-10,13H2.
What are the key properties of 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile?
5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile has a molecular weight of 344.82 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 133422042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).