2-methyl-3-piperidin-1-ylpropanenitrile

C9H16N2 — CID 13401685

IUPAC2-methyl-3-piperidin-1-ylpropanenitrile
SMILESCC(C#N)CN1CCCCC1
InChIInChI=1S/C9H16N2/c1-9(7-10)8-11-5-3-2-4-6-11/h9H,2-6,8H2,1H3
InChIKeyTXOLEVNIQFXVSJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds2

About 2-methyl-3-piperidin-1-ylpropanenitrile

2-methyl-3-piperidin-1-ylpropanenitrile (PubChem CID 13401685) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-ylpropanenitrile
PubChem CID13401685
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-3-piperidin-1-ylpropanenitrile
SMILESCC(C#N)CN1CCCCC1
InChIInChI=1S/C9H16N2/c1-9(7-10)8-11-5-3-2-4-6-11/h9H,2-6,8H2,1H3
InChIKeyTXOLEVNIQFXVSJ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-ylpropanenitrile?
The IUPAC name of 2-methyl-3-piperidin-1-ylpropanenitrile (CID 13401685) is 2-methyl-3-piperidin-1-ylpropanenitrile.
What is the SMILES notation for 2-methyl-3-piperidin-1-ylpropanenitrile?
The canonical SMILES for 2-methyl-3-piperidin-1-ylpropanenitrile is CC(C#N)CN1CCCCC1.
What is the InChIKey of 2-methyl-3-piperidin-1-ylpropanenitrile?
The InChIKey is TXOLEVNIQFXVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(7-10)8-11-5-3-2-4-6-11/h9H,2-6,8H2,1H3.
What are the key properties of 2-methyl-3-piperidin-1-ylpropanenitrile?
2-methyl-3-piperidin-1-ylpropanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-1-ylpropanenitrile is sourced from PubChem (CID 13401685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).