4-ethylpiperidine-4-carbonitrile;hydrochloride

C8H15ClN2 — CID 75531112

IUPAC4-ethylpiperidine-4-carbonitrile;hydrochloride
SMILESCCC1(C#N)CCNCC1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-2-8(7-9)3-5-10-6-4-8;/h10H,2-6H2,1H3;1H
InChIKeyZOCUAHPTSGPJKY-UHFFFAOYSA-N
MW174.67 g/mol
LogP1.71
Rot. Bonds1

About 4-ethylpiperidine-4-carbonitrile;hydrochloride

4-ethylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 75531112) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 4-ethylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-ethylpiperidine-4-carbonitrile;hydrochloride
PubChem CID75531112
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name4-ethylpiperidine-4-carbonitrile;hydrochloride
SMILESCCC1(C#N)CCNCC1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-2-8(7-9)3-5-10-6-4-8;/h10H,2-6H2,1H3;1H
InChIKeyZOCUAHPTSGPJKY-UHFFFAOYSA-N
XLogP1.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpiperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-ethylpiperidine-4-carbonitrile;hydrochloride (CID 75531112) is 4-ethylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-ethylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-ethylpiperidine-4-carbonitrile;hydrochloride is CCC1(C#N)CCNCC1.Cl.
What is the InChIKey of 4-ethylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is ZOCUAHPTSGPJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-2-8(7-9)3-5-10-6-4-8;/h10H,2-6H2,1H3;1H.
What are the key properties of 4-ethylpiperidine-4-carbonitrile;hydrochloride?
4-ethylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 174.67 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 75531112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).