2-(2,6-dimethylpiperidin-1-yl)benzonitrile

C14H18N2 — CID 43826004

IUPAC2-(2,6-dimethylpiperidin-1-yl)benzonitrile
SMILESCC1CCCC(C)N1c1ccccc1C#N
InChIInChI=1S/C14H18N2/c1-11-6-5-7-12(2)16(11)14-9-4-3-8-13(14)10-15/h3-4,8-9,11-12H,5-7H2,1-2H3
InChIKeyKIRQXFIMWPXZCH-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.33
Rot. Bonds1

About 2-(2,6-dimethylpiperidin-1-yl)benzonitrile

2-(2,6-dimethylpiperidin-1-yl)benzonitrile (PubChem CID 43826004) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)benzonitrile
PubChem CID43826004
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)benzonitrile
SMILESCC1CCCC(C)N1c1ccccc1C#N
InChIInChI=1S/C14H18N2/c1-11-6-5-7-12(2)16(11)14-9-4-3-8-13(14)10-15/h3-4,8-9,11-12H,5-7H2,1-2H3
InChIKeyKIRQXFIMWPXZCH-UHFFFAOYSA-N
XLogP3.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)benzonitrile?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)benzonitrile (CID 43826004) is 2-(2,6-dimethylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)benzonitrile is CC1CCCC(C)N1c1ccccc1C#N.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)benzonitrile?
The InChIKey is KIRQXFIMWPXZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-6-5-7-12(2)16(11)14-9-4-3-8-13(14)10-15/h3-4,8-9,11-12H,5-7H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)benzonitrile?
2-(2,6-dimethylpiperidin-1-yl)benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 43826004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).