4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride

C13H17ClN2O — CID 68566492

IUPAC4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCOc1ccc(C2(C#N)CCNCC2)cc1.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-16-12-4-2-11(3-5-12)13(10-14)6-8-15-9-7-13;/h2-5,15H,6-9H2,1H3;1H
InChIKeyLLCUQWGKJRLHCY-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride

4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride (PubChem CID 68566492) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
PubChem CID68566492
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCOc1ccc(C2(C#N)CCNCC2)cc1.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-16-12-4-2-11(3-5-12)13(10-14)6-8-15-9-7-13;/h2-5,15H,6-9H2,1H3;1H
InChIKeyLLCUQWGKJRLHCY-UHFFFAOYSA-N
XLogP2.26
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride (CID 68566492) is 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride is COc1ccc(C2(C#N)CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride?
The InChIKey is LLCUQWGKJRLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-16-12-4-2-11(3-5-12)13(10-14)6-8-15-9-7-13;/h2-5,15H,6-9H2,1H3;1H.
What are the key properties of 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride?
4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 68566492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).