2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile

C15H21N3 — CID 79716455

IUPAC2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)CC1CCNCC1
InChIInChI=1S/C15H21N3/c1-18(11-13-6-8-17-9-7-13)12-15-5-3-2-4-14(15)10-16/h2-5,13,17H,6-9,11-12H2,1H3
InChIKeyUGGGEEJJLCHVNW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.99
Rot. Bonds4

About 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile

2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile (PubChem CID 79716455) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
PubChem CID79716455
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)CC1CCNCC1
InChIInChI=1S/C15H21N3/c1-18(11-13-6-8-17-9-7-13)12-15-5-3-2-4-14(15)10-16/h2-5,13,17H,6-9,11-12H2,1H3
InChIKeyUGGGEEJJLCHVNW-UHFFFAOYSA-N
XLogP1.99
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The IUPAC name of 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile (CID 79716455) is 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile is CN(Cc1ccccc1C#N)CC1CCNCC1.
What is the InChIKey of 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The InChIKey is UGGGEEJJLCHVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18(11-13-6-8-17-9-7-13)12-15-5-3-2-4-14(15)10-16/h2-5,13,17H,6-9,11-12H2,1H3.
What are the key properties of 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 79716455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).