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

C21H25N3O — CID 56756919

IUPAC2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(CO)(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O/c22-16-19-8-12-23-20(15-19)24-13-10-21(17-25,11-14-24)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,12,15,25H,4,7,9-11,13-14,17H2
InChIKeyBDEAYFBBOZZQPI-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.56
Rot. Bonds6

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

2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 56756919) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID56756919
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(CO)(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O/c22-16-19-8-12-23-20(15-19)24-13-10-21(17-25,11-14-24)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,12,15,25H,4,7,9-11,13-14,17H2
InChIKeyBDEAYFBBOZZQPI-UHFFFAOYSA-N
XLogP3.56
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
CID 55159492
2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 95191626
1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125819
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
CID 95228012
2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56758099
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95226937
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 33207768
2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile
CID 70785562
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
2-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154570300
[4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 56746133

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile (CID 56756919) is 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(CO)(CCCc3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is BDEAYFBBOZZQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c22-16-19-8-12-23-20(15-19)24-13-10-21(17-25,11-14-24)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,12,15,25H,4,7,9-11,13-14,17H2.
What are the key properties of 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 335.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56756919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).