2-piperidin-1-ylacetonitrile;hydrochloride

C7H13ClN2 — CID 45261280

IUPAC2-piperidin-1-ylacetonitrile;hydrochloride
SMILESCl.N#CCN1CCCCC1
InChIInChI=1S/C7H12N2.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-3,5-7H2;1H
InChIKeyQVFOABRHOMHQKG-UHFFFAOYSA-N
MW160.65 g/mol
LogP1.42
Rot. Bonds1

About 2-piperidin-1-ylacetonitrile;hydrochloride

2-piperidin-1-ylacetonitrile;hydrochloride (PubChem CID 45261280) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 2-piperidin-1-ylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylacetonitrile;hydrochloride
PubChem CID45261280
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name2-piperidin-1-ylacetonitrile;hydrochloride
SMILESCl.N#CCN1CCCCC1
InChIInChI=1S/C7H12N2.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-3,5-7H2;1H
InChIKeyQVFOABRHOMHQKG-UHFFFAOYSA-N
XLogP1.42
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylacetonitrile;hydrochloride?
The IUPAC name of 2-piperidin-1-ylacetonitrile;hydrochloride (CID 45261280) is 2-piperidin-1-ylacetonitrile;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylacetonitrile;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylacetonitrile;hydrochloride is Cl.N#CCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylacetonitrile;hydrochloride?
The InChIKey is QVFOABRHOMHQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-3,5-7H2;1H.
What are the key properties of 2-piperidin-1-ylacetonitrile;hydrochloride?
2-piperidin-1-ylacetonitrile;hydrochloride has a molecular weight of 160.65 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylacetonitrile;hydrochloride is sourced from PubChem (CID 45261280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).