4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile

C17H25N3 — CID 106625307

IUPAC4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
SMILESCCCN(Cc1ccc(C#N)cc1)CC1CCCNC1
InChIInChI=1S/C17H25N3/c1-2-10-20(14-17-4-3-9-19-12-17)13-16-7-5-15(11-18)6-8-16/h5-8,17,19H,2-4,9-10,12-14H2,1H3
InChIKeyBBFFTOUAUMVHHP-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.77
Rot. Bonds6

About 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile

4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile (PubChem CID 106625307) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
PubChem CID106625307
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
SMILESCCCN(Cc1ccc(C#N)cc1)CC1CCCNC1
InChIInChI=1S/C17H25N3/c1-2-10-20(14-17-4-3-9-19-12-17)13-16-7-5-15(11-18)6-8-16/h5-8,17,19H,2-4,9-10,12-14H2,1H3
InChIKeyBBFFTOUAUMVHHP-UHFFFAOYSA-N
XLogP2.77
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[piperidin-3-ylmethyl(propyl)amino]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

N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
CID 106640797
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625257
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
CID 106624478
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000

Frequently Asked Questions

What is the IUPAC name of 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile (CID 106625307) is 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile is CCCN(Cc1ccc(C#N)cc1)CC1CCCNC1.
What is the InChIKey of 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile?
The InChIKey is BBFFTOUAUMVHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-10-20(14-17-4-3-9-19-12-17)13-16-7-5-15(11-18)6-8-16/h5-8,17,19H,2-4,9-10,12-14H2,1H3.
What are the key properties of 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile?
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile has a molecular weight of 271.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile is sourced from PubChem (CID 106625307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).