2-piperidin-1-ylpropanenitrile

C8H14N2 — CID 12957465

IUPAC2-piperidin-1-ylpropanenitrile
SMILESCC(C#N)N1CCCCC1
InChIInChI=1S/C8H14N2/c1-8(7-9)10-5-3-2-4-6-10/h8H,2-6H2,1H3
InChIKeyPRPJCKZJCBWSDT-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.38
Rot. Bonds1

About 2-piperidin-1-ylpropanenitrile

2-piperidin-1-ylpropanenitrile (PubChem CID 12957465) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-piperidin-1-ylpropanenitrile.

Molecular Properties

Compound Name2-piperidin-1-ylpropanenitrile
PubChem CID12957465
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-piperidin-1-ylpropanenitrile
SMILESCC(C#N)N1CCCCC1
InChIInChI=1S/C8H14N2/c1-8(7-9)10-5-3-2-4-6-10/h8H,2-6H2,1H3
InChIKeyPRPJCKZJCBWSDT-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpropanenitrile?
The IUPAC name of 2-piperidin-1-ylpropanenitrile (CID 12957465) is 2-piperidin-1-ylpropanenitrile.
What is the SMILES notation for 2-piperidin-1-ylpropanenitrile?
The canonical SMILES for 2-piperidin-1-ylpropanenitrile is CC(C#N)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylpropanenitrile?
The InChIKey is PRPJCKZJCBWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(7-9)10-5-3-2-4-6-10/h8H,2-6H2,1H3.
What are the key properties of 2-piperidin-1-ylpropanenitrile?
2-piperidin-1-ylpropanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpropanenitrile is sourced from PubChem (CID 12957465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).