3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile

C20H24N4O — CID 47625903

IUPAC3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCc2ccc(N3CCC(CO)CC3)nc2)c1
InChIInChI=1S/C20H24N4O/c21-11-17-2-1-3-18(10-17)12-22-13-19-4-5-20(23-14-19)24-8-6-16(15-25)7-9-24/h1-5,10,14,16,22,25H,6-9,12-13,15H2
InChIKeyOQCOURWSDONXCW-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.45
Rot. Bonds6

About 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile

3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile (PubChem CID 47625903) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile
PubChem CID47625903
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCc2ccc(N3CCC(CO)CC3)nc2)c1
InChIInChI=1S/C20H24N4O/c21-11-17-2-1-3-18(10-17)12-22-13-19-4-5-20(23-14-19)24-8-6-16(15-25)7-9-24/h1-5,10,14,16,22,25H,6-9,12-13,15H2
InChIKeyOQCOURWSDONXCW-UHFFFAOYSA-N
XLogP2.45
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[5-[[(2,4-dimethylphenyl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride
CID 47626066
3-[[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]methyl]benzonitrile
CID 71857280
3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol
CID 75405291
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727
3-[(pyrimidin-5-ylmethylamino)methyl]benzonitrile
CID 55110281
[1-(5-amino-2-pyridinyl)piperidin-4-yl]methanol
CID 43133155
3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107411828
[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 63971176
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 111338613
3-[[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]benzonitrile
CID 126920303

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile (CID 47625903) is 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile is N#Cc1cccc(CNCc2ccc(N3CCC(CO)CC3)nc2)c1.
What is the InChIKey of 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile?
The InChIKey is OQCOURWSDONXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c21-11-17-2-1-3-18(10-17)12-22-13-19-4-5-20(23-14-19)24-8-6-16(15-25)7-9-24/h1-5,10,14,16,22,25H,6-9,12-13,15H2.
What are the key properties of 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile?
3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile is sourced from PubChem (CID 47625903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).