3-(2-methylpiperidin-1-yl)propanenitrile

C9H16N2 — CID 574530

IUPAC3-(2-methylpiperidin-1-yl)propanenitrile
SMILESCC1CCCCN1CCC#N
InChIInChI=1S/C9H16N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-5,7-8H2,1H3
InChIKeySJFHISLGBSSBQE-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.77
Rot. Bonds2

About 3-(2-methylpiperidin-1-yl)propanenitrile

3-(2-methylpiperidin-1-yl)propanenitrile (PubChem CID 574530) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propanenitrile
PubChem CID574530
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-(2-methylpiperidin-1-yl)propanenitrile
SMILESCC1CCCCN1CCC#N
InChIInChI=1S/C9H16N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-5,7-8H2,1H3
InChIKeySJFHISLGBSSBQE-UHFFFAOYSA-N
XLogP1.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propanenitrile?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propanenitrile (CID 574530) is 3-(2-methylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propanenitrile is CC1CCCCN1CCC#N.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propanenitrile?
The InChIKey is SJFHISLGBSSBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-5,7-8H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)propanenitrile?
3-(2-methylpiperidin-1-yl)propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 574530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).