4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile

C17H25N3 — CID 106624478

IUPAC4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
SMILESCCN(CC1CCCNC1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H25N3/c1-3-20(13-16-5-4-10-19-12-16)14(2)17-8-6-15(11-18)7-9-17/h6-9,14,16,19H,3-5,10,12-13H2,1-2H3
InChIKeySOWBYQWXEPWGIM-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.94
Rot. Bonds5

About 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile

4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile (PubChem CID 106624478) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
PubChem CID106624478
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
SMILESCCN(CC1CCCNC1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H25N3/c1-3-20(13-16-5-4-10-19-12-16)14(2)17-8-6-15(11-18)7-9-17/h6-9,14,16,19H,3-5,10,12-13H2,1-2H3
InChIKeySOWBYQWXEPWGIM-UHFFFAOYSA-N
XLogP2.94
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106624697
4-[1-[ethyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106622496
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106624693
3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106638814
N-ethyl-N-(piperidin-3-ylmethyl)heptan-4-amine
CID 106624422
N-ethyl-N-(piperidin-3-ylmethyl)nonan-2-amine
CID 106624638
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272

Frequently Asked Questions

What is the IUPAC name of 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile (CID 106624478) is 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile is CCN(CC1CCCNC1)C(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile?
The InChIKey is SOWBYQWXEPWGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-20(13-16-5-4-10-19-12-16)14(2)17-8-6-15(11-18)7-9-17/h6-9,14,16,19H,3-5,10,12-13H2,1-2H3.
What are the key properties of 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile?
4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile has a molecular weight of 271.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 106624478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).