4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile

C15H21N3 — CID 60697219

IUPAC4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNCCN2CCCCC2)cc1
InChIInChI=1S/C15H21N3/c16-12-14-4-6-15(7-5-14)13-17-8-11-18-9-2-1-3-10-18/h4-7,17H,1-3,8-11,13H2
InChIKeyTYTKLWJJEXOECU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds5

About 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile

4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile (PubChem CID 60697219) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile
PubChem CID60697219
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNCCN2CCCCC2)cc1
InChIInChI=1S/C15H21N3/c16-12-14-4-6-15(7-5-14)13-17-8-11-18-9-2-1-3-10-18/h4-7,17H,1-3,8-11,13H2
InChIKeyTYTKLWJJEXOECU-UHFFFAOYSA-N
XLogP2.13
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
5-[[2-(azepan-1-yl)ethylamino]methyl]-2-fluorobenzonitrile
CID 107936212
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478
3-[(3-piperidin-1-ylpropylamino)methyl]benzonitrile
CID 28657390
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
4-[[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]methyl]benzonitrile
CID 47052709

Frequently Asked Questions

What is the IUPAC name of 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile?
The IUPAC name of 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile (CID 60697219) is 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile?
The canonical SMILES for 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile is N#Cc1ccc(CNCCN2CCCCC2)cc1.
What is the InChIKey of 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile?
The InChIKey is TYTKLWJJEXOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-12-14-4-6-15(7-5-14)13-17-8-11-18-9-2-1-3-10-18/h4-7,17H,1-3,8-11,13H2.
What are the key properties of 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile?
4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile is sourced from PubChem (CID 60697219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).