4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride

C11H14ClN3 — CID 67562162

IUPAC4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccncc2)CCNCC1
InChIInChI=1S/C11H13N3.ClH/c12-9-11(3-7-14-8-4-11)10-1-5-13-6-2-10;/h1-2,5-6,14H,3-4,7-8H2;1H
InChIKeyLVJAMQYOZNMMBP-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.65
Rot. Bonds1

About 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride

4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 67562162) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
PubChem CID67562162
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccncc2)CCNCC1
InChIInChI=1S/C11H13N3.ClH/c12-9-11(3-7-14-8-4-11)10-1-5-13-6-2-10;/h1-2,5-6,14H,3-4,7-8H2;1H
InChIKeyLVJAMQYOZNMMBP-UHFFFAOYSA-N
XLogP1.65
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride (CID 67562162) is 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride is Cl.N#CC1(c2ccncc2)CCNCC1.
What is the InChIKey of 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is LVJAMQYOZNMMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.ClH/c12-9-11(3-7-14-8-4-11)10-1-5-13-6-2-10;/h1-2,5-6,14H,3-4,7-8H2;1H.
What are the key properties of 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride?
4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 223.71 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 67562162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).