piperidine-3-carbonitrile;hydrochloride

C6H11ClN2 — CID 53400639

IUPACpiperidine-3-carbonitrile;hydrochloride
SMILESCl.N#CC1CCCNC1
InChIInChI=1S/C6H10N2.ClH/c7-4-6-2-1-3-8-5-6;/h6,8H,1-3,5H2;1H
InChIKeyUGNVDGLCOHDISF-UHFFFAOYSA-N
MW146.62 g/mol
LogP0.93
Rot. Bonds

About piperidine-3-carbonitrile;hydrochloride

piperidine-3-carbonitrile;hydrochloride (PubChem CID 53400639) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is piperidine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Namepiperidine-3-carbonitrile;hydrochloride
PubChem CID53400639
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Namepiperidine-3-carbonitrile;hydrochloride
SMILESCl.N#CC1CCCNC1
InChIInChI=1S/C6H10N2.ClH/c7-4-6-2-1-3-8-5-6;/h6,8H,1-3,5H2;1H
InChIKeyUGNVDGLCOHDISF-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidine-3-carbonitrile;hydrochloride?
The IUPAC name of piperidine-3-carbonitrile;hydrochloride (CID 53400639) is piperidine-3-carbonitrile;hydrochloride.
What is the SMILES notation for piperidine-3-carbonitrile;hydrochloride?
The canonical SMILES for piperidine-3-carbonitrile;hydrochloride is Cl.N#CC1CCCNC1.
What is the InChIKey of piperidine-3-carbonitrile;hydrochloride?
The InChIKey is UGNVDGLCOHDISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c7-4-6-2-1-3-8-5-6;/h6,8H,1-3,5H2;1H.
What are the key properties of piperidine-3-carbonitrile;hydrochloride?
piperidine-3-carbonitrile;hydrochloride has a molecular weight of 146.62 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 53400639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).