4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile

C17H25N3 — CID 43692380

IUPAC4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
SMILESCC(NC(C)C1CCCN(C)C1)c1ccc(C#N)cc1
InChIInChI=1S/C17H25N3/c1-13(16-8-6-15(11-18)7-9-16)19-14(2)17-5-4-10-20(3)12-17/h6-9,13-14,17,19H,4-5,10,12H2,1-3H3
InChIKeyLVJUZSMMYAHVCK-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.94
Rot. Bonds4

About 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile

4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile (PubChem CID 43692380) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
PubChem CID43692380
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
SMILESCC(NC(C)C1CCCN(C)C1)c1ccc(C#N)cc1
InChIInChI=1S/C17H25N3/c1-13(16-8-6-15(11-18)7-9-16)19-14(2)17-5-4-10-20(3)12-17/h6-9,13-14,17,19H,4-5,10,12H2,1-3H3
InChIKeyLVJUZSMMYAHVCK-UHFFFAOYSA-N
XLogP2.94
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]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

N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
CID 43692381
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
4-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzonitrile
CID 103768084
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43692476
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 43688616

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile (CID 43692380) is 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile is CC(NC(C)C1CCCN(C)C1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile?
The InChIKey is LVJUZSMMYAHVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(16-8-6-15(11-18)7-9-16)19-14(2)17-5-4-10-20(3)12-17/h6-9,13-14,17,19H,4-5,10,12H2,1-3H3.
What are the key properties of 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile?
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile has a molecular weight of 271.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 43692380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).