(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile

C14H18N2O — CID 125493415

IUPAC(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
SMILESN#C[C@H]1CCN(CCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C14H18N2O/c15-10-13-7-9-16(11-14(13)17)8-6-12-4-2-1-3-5-12/h1-5,13-14,17H,6-9,11H2/t13-,14+/m1/s1
InChIKeyDMDSRHXRNOWSTL-KGLIPLIRSA-N
MW230.31 g/mol
LogP1.44
Rot. Bonds3

About (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile

(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile (PubChem CID 125493415) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
PubChem CID125493415
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
SMILESN#C[C@H]1CCN(CCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C14H18N2O/c15-10-13-7-9-16(11-14(13)17)8-6-12-4-2-1-3-5-12/h1-5,13-14,17H,6-9,11H2/t13-,14+/m1/s1
InChIKeyDMDSRHXRNOWSTL-KGLIPLIRSA-N
XLogP1.44
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane
CID 144887397
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 117024510
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile
CID 178171793
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1,4-bis(2-phenylethyl)piperidine
CID 86059939
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile?
The IUPAC name of (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile (CID 125493415) is (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile?
The canonical SMILES for (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile is N#C[C@H]1CCN(CCc2ccccc2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile?
The InChIKey is DMDSRHXRNOWSTL-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18N2O/c15-10-13-7-9-16(11-14(13)17)8-6-12-4-2-1-3-5-12/h1-5,13-14,17H,6-9,11H2/t13-,14+/m1/s1.
What are the key properties of (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile?
(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 125493415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).