2-(4-methylpiperidin-1-yl)benzonitrile

C13H16N2 — CID 14931104

IUPAC2-(4-methylpiperidin-1-yl)benzonitrile
SMILESCC1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C13H16N2/c1-11-6-8-15(9-7-11)13-5-3-2-4-12(13)10-14/h2-5,11H,6-9H2,1H3
InChIKeyQVVFVZZUIIZJJH-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.79
Rot. Bonds1

About 2-(4-methylpiperidin-1-yl)benzonitrile

2-(4-methylpiperidin-1-yl)benzonitrile (PubChem CID 14931104) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)benzonitrile
PubChem CID14931104
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-(4-methylpiperidin-1-yl)benzonitrile
SMILESCC1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C13H16N2/c1-11-6-8-15(9-7-11)13-5-3-2-4-12(13)10-14/h2-5,11H,6-9H2,1H3
InChIKeyQVVFVZZUIIZJJH-UHFFFAOYSA-N
XLogP2.79
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)benzonitrile?
The IUPAC name of 2-(4-methylpiperidin-1-yl)benzonitrile (CID 14931104) is 2-(4-methylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)benzonitrile is CC1CCN(c2ccccc2C#N)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)benzonitrile?
The InChIKey is QVVFVZZUIIZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11-6-8-15(9-7-11)13-5-3-2-4-12(13)10-14/h2-5,11H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)benzonitrile?
2-(4-methylpiperidin-1-yl)benzonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 14931104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).