4-(2,3-dimethylphenyl)piperidine;hydrochloride

C13H20ClN — CID 70683125

IUPAC4-(2,3-dimethylphenyl)piperidine;hydrochloride
SMILESCc1cccc(C2CCNCC2)c1C.Cl
InChIInChI=1S/C13H19N.ClH/c1-10-4-3-5-13(11(10)2)12-6-8-14-9-7-12;/h3-5,12,14H,6-9H2,1-2H3;1H
InChIKeyIVAIIEOFJOMKTB-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.19
Rot. Bonds1

About 4-(2,3-dimethylphenyl)piperidine;hydrochloride

4-(2,3-dimethylphenyl)piperidine;hydrochloride (PubChem CID 70683125) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)piperidine;hydrochloride
PubChem CID70683125
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name4-(2,3-dimethylphenyl)piperidine;hydrochloride
SMILESCc1cccc(C2CCNCC2)c1C.Cl
InChIInChI=1S/C13H19N.ClH/c1-10-4-3-5-13(11(10)2)12-6-8-14-9-7-12;/h3-5,12,14H,6-9H2,1-2H3;1H
InChIKeyIVAIIEOFJOMKTB-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)piperidine;hydrochloride?
The IUPAC name of 4-(2,3-dimethylphenyl)piperidine;hydrochloride (CID 70683125) is 4-(2,3-dimethylphenyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylphenyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylphenyl)piperidine;hydrochloride is Cc1cccc(C2CCNCC2)c1C.Cl.
What is the InChIKey of 4-(2,3-dimethylphenyl)piperidine;hydrochloride?
The InChIKey is IVAIIEOFJOMKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-10-4-3-5-13(11(10)2)12-6-8-14-9-7-12;/h3-5,12,14H,6-9H2,1-2H3;1H.
What are the key properties of 4-(2,3-dimethylphenyl)piperidine;hydrochloride?
4-(2,3-dimethylphenyl)piperidine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 70683125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).