2-piperidin-1-ylacetonitrile

C7H12N2 — CID 18164

IUPAC2-piperidin-1-ylacetonitrile
SMILESN#CCN1CCCCC1
InChIInChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2
InChIKeyCLVBVRODHJFTGF-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.00
Rot. Bonds1

About 2-piperidin-1-ylacetonitrile

2-piperidin-1-ylacetonitrile (PubChem CID 18164) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-piperidin-1-ylacetonitrile
PubChem CID18164
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-piperidin-1-ylacetonitrile
SMILESN#CCN1CCCCC1
InChIInChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2
InChIKeyCLVBVRODHJFTGF-UHFFFAOYSA-N
XLogP1.00
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.00
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?
The IUPAC name of 2-piperidin-1-ylacetonitrile (CID 18164) is 2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-piperidin-1-ylacetonitrile is N#CCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylacetonitrile?
The InChIKey is CLVBVRODHJFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2.
What are the key properties of 2-piperidin-1-ylacetonitrile?
2-piperidin-1-ylacetonitrile has a molecular weight of 124.19 g/mol, XLogP of 1.00, 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 is sourced from PubChem (CID 18164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).