3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride

C14H19ClN2 — CID 67111986

IUPAC3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride
SMILESCl.N#CCCc1ccccc1C1CCNCC1
InChIInChI=1S/C14H18N2.ClH/c15-9-3-5-12-4-1-2-6-14(12)13-7-10-16-11-8-13;/h1-2,4,6,13,16H,3,5,7-8,10-11H2;1H
InChIKeyBLIWYTNLIKPMGV-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.03
Rot. Bonds3

About 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride

3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride (PubChem CID 67111986) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride
PubChem CID67111986
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride
SMILESCl.N#CCCc1ccccc1C1CCNCC1
InChIInChI=1S/C14H18N2.ClH/c15-9-3-5-12-4-1-2-6-14(12)13-7-10-16-11-8-13;/h1-2,4,6,13,16H,3,5,7-8,10-11H2;1H
InChIKeyBLIWYTNLIKPMGV-UHFFFAOYSA-N
XLogP3.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride?
The IUPAC name of 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride (CID 67111986) is 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride.
What is the SMILES notation for 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride?
The canonical SMILES for 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride is Cl.N#CCCc1ccccc1C1CCNCC1.
What is the InChIKey of 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride?
The InChIKey is BLIWYTNLIKPMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.ClH/c15-9-3-5-12-4-1-2-6-14(12)13-7-10-16-11-8-13;/h1-2,4,6,13,16H,3,5,7-8,10-11H2;1H.
What are the key properties of 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride?
3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride is sourced from PubChem (CID 67111986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).