5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile

C19H19ClN2O — CID 133299526

IUPAC5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O/c20-17-6-7-18(16(12-17)13-21)22-10-8-15(9-11-22)19(23)14-4-2-1-3-5-14/h1-7,12,15,19,23H,8-11H2
InChIKeyJSJVTYYWZJJIDL-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.16
Rot. Bonds3

About 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile

5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile (PubChem CID 133299526) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile
PubChem CID133299526
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O/c20-17-6-7-18(16(12-17)13-21)22-10-8-15(9-11-22)19(23)14-4-2-1-3-5-14/h1-7,12,15,19,23H,8-11H2
InChIKeyJSJVTYYWZJJIDL-UHFFFAOYSA-N
XLogP4.16
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-5-nitrobenzonitrile
CID 24651458
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
5-chloro-2-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62918333
5-chloro-2-(4,4-dimethylpiperidin-1-yl)benzonitrile
CID 62930587
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
5-chloro-2-[4-(2-fluoroanilino)piperidin-1-yl]benzonitrile
CID 133330842
5-chloro-2-[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]benzonitrile
CID 125183701
5-chloro-2-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]benzonitrile
CID 125183702
6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
CID 133433199
5-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzonitrile
CID 63510514
1-(4-chloro-2-cyanophenyl)azepane-2-carboxylic acid
CID 64563921
5-chloro-2-[4-(1-cyanopropyl)piperazin-1-yl]benzonitrile
CID 63343941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile?
The IUPAC name of 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile (CID 133299526) is 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile.
What is the SMILES notation for 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile?
The canonical SMILES for 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile is N#Cc1cc(Cl)ccc1N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile?
The InChIKey is JSJVTYYWZJJIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-17-6-7-18(16(12-17)13-21)22-10-8-15(9-11-22)19(23)14-4-2-1-3-5-14/h1-7,12,15,19,23H,8-11H2.
What are the key properties of 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile?
5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile has a molecular weight of 326.83 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 133299526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).