piperidine-2-carbonitrile;hydrochloride

C6H11ClN2 — CID 13444038

IUPACpiperidine-2-carbonitrile;hydrochloride
SMILESCl.N#CC1CCCCN1
InChIInChI=1S/C6H10N2.ClH/c7-5-6-3-1-2-4-8-6;/h6,8H,1-4H2;1H
InChIKeyDSAFWCGACOBUOJ-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.07
Rot. Bonds

About piperidine-2-carbonitrile;hydrochloride

piperidine-2-carbonitrile;hydrochloride (PubChem CID 13444038) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is piperidine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Namepiperidine-2-carbonitrile;hydrochloride
PubChem CID13444038
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Namepiperidine-2-carbonitrile;hydrochloride
SMILESCl.N#CC1CCCCN1
InChIInChI=1S/C6H10N2.ClH/c7-5-6-3-1-2-4-8-6;/h6,8H,1-4H2;1H
InChIKeyDSAFWCGACOBUOJ-UHFFFAOYSA-N
XLogP1.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidine-2-carbonitrile;hydrochloride?
The IUPAC name of piperidine-2-carbonitrile;hydrochloride (CID 13444038) is piperidine-2-carbonitrile;hydrochloride.
What is the SMILES notation for piperidine-2-carbonitrile;hydrochloride?
The canonical SMILES for piperidine-2-carbonitrile;hydrochloride is Cl.N#CC1CCCCN1.
What is the InChIKey of piperidine-2-carbonitrile;hydrochloride?
The InChIKey is DSAFWCGACOBUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c7-5-6-3-1-2-4-8-6;/h6,8H,1-4H2;1H.
What are the key properties of piperidine-2-carbonitrile;hydrochloride?
piperidine-2-carbonitrile;hydrochloride has a molecular weight of 146.62 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 13444038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).