3-piperidin-1-ylpropanenitrile;hydrochloride

C8H15ClN2 — CID 45261237

IUPAC3-piperidin-1-ylpropanenitrile;hydrochloride
SMILESCl.N#CCCN1CCCCC1
InChIInChI=1S/C8H14N2.ClH/c9-5-4-8-10-6-2-1-3-7-10;/h1-4,6-8H2;1H
InChIKeyZFOHYGLQWVWLSN-UHFFFAOYSA-N
MW174.67 g/mol
LogP1.81
Rot. Bonds2

About 3-piperidin-1-ylpropanenitrile;hydrochloride

3-piperidin-1-ylpropanenitrile;hydrochloride (PubChem CID 45261237) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 3-piperidin-1-ylpropanenitrile;hydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylpropanenitrile;hydrochloride
PubChem CID45261237
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name3-piperidin-1-ylpropanenitrile;hydrochloride
SMILESCl.N#CCCN1CCCCC1
InChIInChI=1S/C8H14N2.ClH/c9-5-4-8-10-6-2-1-3-7-10;/h1-4,6-8H2;1H
InChIKeyZFOHYGLQWVWLSN-UHFFFAOYSA-N
XLogP1.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropanenitrile;hydrochloride?
The IUPAC name of 3-piperidin-1-ylpropanenitrile;hydrochloride (CID 45261237) is 3-piperidin-1-ylpropanenitrile;hydrochloride.
What is the SMILES notation for 3-piperidin-1-ylpropanenitrile;hydrochloride?
The canonical SMILES for 3-piperidin-1-ylpropanenitrile;hydrochloride is Cl.N#CCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropanenitrile;hydrochloride?
The InChIKey is ZFOHYGLQWVWLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c9-5-4-8-10-6-2-1-3-7-10;/h1-4,6-8H2;1H.
What are the key properties of 3-piperidin-1-ylpropanenitrile;hydrochloride?
3-piperidin-1-ylpropanenitrile;hydrochloride has a molecular weight of 174.67 g/mol, XLogP of 1.81, 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;hydrochloride is sourced from PubChem (CID 45261237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).