3-(1-propylpiperidin-3-yl)benzonitrile

C15H20N2 — CID 5119

IUPAC3-(1-propylpiperidin-3-yl)benzonitrile
SMILESCCCN1CCCC(c2cccc(C#N)c2)C1
InChIInChI=1S/C15H20N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h3,5-6,10,15H,2,4,7-9,12H2,1H3
InChIKeyGQRIAOUUYRIMLH-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.15
Rot. Bonds3

About 3-(1-propylpiperidin-3-yl)benzonitrile

3-(1-propylpiperidin-3-yl)benzonitrile (PubChem CID 5119) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(1-propylpiperidin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(1-propylpiperidin-3-yl)benzonitrile
PubChem CID5119
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(1-propylpiperidin-3-yl)benzonitrile
SMILESCCCN1CCCC(c2cccc(C#N)c2)C1
InChIInChI=1S/C15H20N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h3,5-6,10,15H,2,4,7-9,12H2,1H3
InChIKeyGQRIAOUUYRIMLH-UHFFFAOYSA-N
XLogP3.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propylpiperidin-3-yl)benzonitrile?
The IUPAC name of 3-(1-propylpiperidin-3-yl)benzonitrile (CID 5119) is 3-(1-propylpiperidin-3-yl)benzonitrile.
What is the SMILES notation for 3-(1-propylpiperidin-3-yl)benzonitrile?
The canonical SMILES for 3-(1-propylpiperidin-3-yl)benzonitrile is CCCN1CCCC(c2cccc(C#N)c2)C1.
What is the InChIKey of 3-(1-propylpiperidin-3-yl)benzonitrile?
The InChIKey is GQRIAOUUYRIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h3,5-6,10,15H,2,4,7-9,12H2,1H3.
What are the key properties of 3-(1-propylpiperidin-3-yl)benzonitrile?
3-(1-propylpiperidin-3-yl)benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylpiperidin-3-yl)benzonitrile is sourced from PubChem (CID 5119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).