2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile

C20H23N3O2 — CID 56758099

IUPAC2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCOc1cccc(CC2(CO)CCCN(c3cc(C#N)ccn3)C2)c1
InChIInChI=1S/C20H23N3O2/c1-25-18-5-2-4-16(10-18)12-20(15-24)7-3-9-23(14-20)19-11-17(13-21)6-8-22-19/h2,4-6,8,10-11,24H,3,7,9,12,14-15H2,1H3
InChIKeyNNYHEHIAOWYVPS-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.78
Rot. Bonds5

About 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile

2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 56758099) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID56758099
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCOc1cccc(CC2(CO)CCCN(c3cc(C#N)ccn3)C2)c1
InChIInChI=1S/C20H23N3O2/c1-25-18-5-2-4-16(10-18)12-20(15-24)7-3-9-23(14-20)19-11-17(13-21)6-8-22-19/h2,4-6,8,10-11,24H,3,7,9,12,14-15H2,1H3
InChIKeyNNYHEHIAOWYVPS-UHFFFAOYSA-N
XLogP2.78
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 95191626
N-[(3R,4R)-1-(4-cyano-2-pyridinyl)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 171911126
2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 56756919
2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725514
2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
CID 55159492
2-[(1R,2S,8S,9S)-8-[(3-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-4-carbonitrile
CID 164690924
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 25278692
[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42591966
4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
CID 97151960
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
CID 95189412
3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 45217063

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile (CID 56758099) is 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile is COc1cccc(CC2(CO)CCCN(c3cc(C#N)ccn3)C2)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is NNYHEHIAOWYVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-18-5-2-4-16(10-18)12-20(15-24)7-3-9-23(14-20)19-11-17(13-21)6-8-22-19/h2,4-6,8,10-11,24H,3,7,9,12,14-15H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56758099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).