4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile

C20H22N2O — CID 33349056

IUPAC4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O/c21-14-16-6-8-17(9-7-16)15-22-12-10-19(11-13-22)20(23)18-4-2-1-3-5-18/h1-9,19-20,23H,10-13,15H2/t20-/m0/s1
InChIKeyHYLYCTIOUULIQS-FQEVSTJZSA-N
MW306.41 g/mol
LogP3.50
Rot. Bonds4

About 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile

4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 33349056) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
PubChem CID33349056
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O/c21-14-16-6-8-17(9-7-16)15-22-12-10-19(11-13-22)20(23)18-4-2-1-3-5-18/h1-9,19-20,23H,10-13,15H2/t20-/m0/s1
InChIKeyHYLYCTIOUULIQS-FQEVSTJZSA-N
XLogP3.50
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902
4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 46493889
3-[[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 122028578
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
4-fluoro-3-[[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzonitrile
CID 111109176
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
(R)-(1-benzylpiperidin-3-yl)-phenylmethanol
CID 146542509

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile (CID 33349056) is 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is HYLYCTIOUULIQS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N2O/c21-14-16-6-8-17(9-7-16)15-22-12-10-19(11-13-22)20(23)18-4-2-1-3-5-18/h1-9,19-20,23H,10-13,15H2/t20-/m0/s1.
What are the key properties of 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile?
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 306.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 33349056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).