2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile

C20H23N3O2 — CID 95191626

IUPAC2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC[C@](CO)(CCOc3ccccc3)C2)c1
InChIInChI=1S/C20H23N3O2/c21-14-17-7-10-22-19(13-17)23-11-4-8-20(15-23,16-24)9-12-25-18-5-2-1-3-6-18/h1-3,5-7,10,13,24H,4,8-9,11-12,15-16H2/t20-/m0/s1
InChIKeyGLTNTCNXRDMIFW-FQEVSTJZSA-N
MW337.42 g/mol
LogP3.00
Rot. Bonds6

About 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile

2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 95191626) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID95191626
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC[C@](CO)(CCOc3ccccc3)C2)c1
InChIInChI=1S/C20H23N3O2/c21-14-17-7-10-22-19(13-17)23-11-4-8-20(15-23,16-24)9-12-25-18-5-2-1-3-6-18/h1-3,5-7,10,13,24H,4,8-9,11-12,15-16H2/t20-/m0/s1
InChIKeyGLTNTCNXRDMIFW-FQEVSTJZSA-N
XLogP3.00
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56758099
[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 56757600
2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 56756919
[(3S)-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 95221850
2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
CID 55159492
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
CID 95228012
1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 42565161
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36634426
[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 70773679
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95226937
[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25479616
1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125819

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile (CID 95191626) is 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC[C@](CO)(CCOc3ccccc3)C2)c1.
What is the InChIKey of 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is GLTNTCNXRDMIFW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-14-17-7-10-22-19(13-17)23-11-4-8-20(15-23,16-24)9-12-25-18-5-2-1-3-6-18/h1-3,5-7,10,13,24H,4,8-9,11-12,15-16H2/t20-/m0/s1.
What are the key properties of 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile?
2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 95191626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).