3-piperidin-1-ylpropanenitrile

C8H14N2 — CID 18338

IUPAC3-piperidin-1-ylpropanenitrile
SMILESN#CCCN1CCCCC1
InChIInChI=1S/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2
InChIKeyYZICFVIUVMCCOC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.39
Rot. Bonds2

About 3-piperidin-1-ylpropanenitrile

3-piperidin-1-ylpropanenitrile (PubChem CID 18338) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-piperidin-1-ylpropanenitrile.

Molecular Properties

Compound Name3-piperidin-1-ylpropanenitrile
PubChem CID18338
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-piperidin-1-ylpropanenitrile
SMILESN#CCCN1CCCCC1
InChIInChI=1S/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2
InChIKeyYZICFVIUVMCCOC-UHFFFAOYSA-N
XLogP1.39
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidinoacetonitrile
CID 18164
1-Piperidinebutyronitrile
CID 78403
Piperidinocarbonitrile
CID 73736
2-Methyl-2-piperidin-1-ylpropanenitrile
CID 288882
Piperidine-1-valeronitrile
CID 78472
1-(2-Cyanoethyl)-2-pipecoline
CID 574530
3-Piperidin-1-ylpropanenitrile;hydrochloride
CID 45261237
2-Piperidin-1-ylacetonitrile;hydrochloride
CID 45261280
2-(Piperidin-1-yl)propanenitrile
CID 12957465
1-(2-Isocyanoethyl)piperidine
CID 2759438
3-(Piperidin-1-yl)butanenitrile
CID 12040759
2-Methyl-3-piperidin-1-ylpropanenitrile
CID 13401685

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropanenitrile?
The IUPAC name of 3-piperidin-1-ylpropanenitrile (CID 18338) is 3-piperidin-1-ylpropanenitrile.
What is the SMILES notation for 3-piperidin-1-ylpropanenitrile?
The canonical SMILES for 3-piperidin-1-ylpropanenitrile is N#CCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropanenitrile?
The InChIKey is YZICFVIUVMCCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2.
What are the key properties of 3-piperidin-1-ylpropanenitrile?
3-piperidin-1-ylpropanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropanenitrile is sourced from PubChem (CID 18338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).