2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride

C13H16Cl2N2 — CID 86704279

IUPAC2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride
SMILESCl.N#CC(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C13H15ClN2.ClH/c14-12-3-1-10(2-4-12)13(9-15)11-5-7-16-8-6-11;/h1-4,11,13,16H,5-8H2;1H
InChIKeySPOAQNMOIBYSED-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.37
Rot. Bonds2

About 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride

2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride (PubChem CID 86704279) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride
PubChem CID86704279
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride
SMILESCl.N#CC(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C13H15ClN2.ClH/c14-12-3-1-10(2-4-12)13(9-15)11-5-7-16-8-6-11;/h1-4,11,13,16H,5-8H2;1H
InChIKeySPOAQNMOIBYSED-UHFFFAOYSA-N
XLogP3.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride (CID 86704279) is 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride is Cl.N#CC(c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride?
The InChIKey is SPOAQNMOIBYSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.ClH/c14-12-3-1-10(2-4-12)13(9-15)11-5-7-16-8-6-11;/h1-4,11,13,16H,5-8H2;1H.
What are the key properties of 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride?
2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride has a molecular weight of 271.19 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride is sourced from PubChem (CID 86704279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).