2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile

C20H23N3O — CID 95230570

IUPAC2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccccc1C[C@]1(CO)CCCN(c2ncccc2C#N)C1
InChIInChI=1S/C20H23N3O/c1-16-6-2-3-7-17(16)12-20(15-24)9-5-11-23(14-20)19-18(13-21)8-4-10-22-19/h2-4,6-8,10,24H,5,9,11-12,14-15H2,1H3/t20-/m1/s1
InChIKeyZAJNEXHFDWAAOD-HXUWFJFHSA-N
MW321.42 g/mol
LogP3.08
Rot. Bonds4

About 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile

2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95230570) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID95230570
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccccc1C[C@]1(CO)CCCN(c2ncccc2C#N)C1
InChIInChI=1S/C20H23N3O/c1-16-6-2-3-7-17(16)12-20(15-24)9-5-11-23(14-20)19-18(13-21)8-4-10-22-19/h2-4,6-8,10,24H,5,9,11-12,14-15H2,1H3/t20-/m1/s1
InChIKeyZAJNEXHFDWAAOD-HXUWFJFHSA-N
XLogP3.08
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95226937
[3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 56739908
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 56745745
[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol
CID 95188002
(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
CID 25278388
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
[(3S)-3-[(2,4-difluorophenyl)methyl]-1-isoquinolin-1-ylpiperidin-3-yl]methanol
CID 95192495
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126206
4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 26410395
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
CID 45249436

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 95230570) is 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile is Cc1ccccc1C[C@]1(CO)CCCN(c2ncccc2C#N)C1.
What is the InChIKey of 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZAJNEXHFDWAAOD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O/c1-16-6-2-3-7-17(16)12-20(15-24)9-5-11-23(14-20)19-18(13-21)8-4-10-22-19/h2-4,6-8,10,24H,5,9,11-12,14-15H2,1H3/t20-/m1/s1.
What are the key properties of 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 321.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95230570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).