3-(2-propylpiperidin-1-yl)benzonitrile

C15H20N2 — CID 102817123

IUPAC3-(2-propylpiperidin-1-yl)benzonitrile
SMILESCCCC1CCCCN1c1cccc(C#N)c1
InChIInChI=1S/C15H20N2/c1-2-6-14-8-3-4-10-17(14)15-9-5-7-13(11-15)12-16/h5,7,9,11,14H,2-4,6,8,10H2,1H3
InChIKeyWXQRJTZNSURCGO-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.72
Rot. Bonds3

About 3-(2-propylpiperidin-1-yl)benzonitrile

3-(2-propylpiperidin-1-yl)benzonitrile (PubChem CID 102817123) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(2-propylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-propylpiperidin-1-yl)benzonitrile
PubChem CID102817123
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(2-propylpiperidin-1-yl)benzonitrile
SMILESCCCC1CCCCN1c1cccc(C#N)c1
InChIInChI=1S/C15H20N2/c1-2-6-14-8-3-4-10-17(14)15-9-5-7-13(11-15)12-16/h5,7,9,11,14H,2-4,6,8,10H2,1H3
InChIKeyWXQRJTZNSURCGO-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 12018198
3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
CID 83056403
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)benzonitrile
CID 102816646
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile
CID 103442333
3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 102819045
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzonitrile
CID 102817599
1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone
CID 83056595
methyl 1-(3-cyanophenyl)pyrrolidine-2-carboxylate
CID 72637225
2-bromo-6-(2-propylpiperidin-1-yl)pyridine
CID 83056141
3-(2,5-diethylpiperazin-1-yl)benzonitrile
CID 102819056
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 113191916

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylpiperidin-1-yl)benzonitrile?
The IUPAC name of 3-(2-propylpiperidin-1-yl)benzonitrile (CID 102817123) is 3-(2-propylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 3-(2-propylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 3-(2-propylpiperidin-1-yl)benzonitrile is CCCC1CCCCN1c1cccc(C#N)c1.
What is the InChIKey of 3-(2-propylpiperidin-1-yl)benzonitrile?
The InChIKey is WXQRJTZNSURCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-6-14-8-3-4-10-17(14)15-9-5-7-13(11-15)12-16/h5,7,9,11,14H,2-4,6,8,10H2,1H3.
What are the key properties of 3-(2-propylpiperidin-1-yl)benzonitrile?
3-(2-propylpiperidin-1-yl)benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 102817123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).