4-(4-ethylphenyl)piperidine;hydrochloride

C13H20ClN — CID 13078431

IUPAC4-(4-ethylphenyl)piperidine;hydrochloride
SMILESCCc1ccc(C2CCNCC2)cc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKeyNYOPZWCTTGYZBS-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.14
Rot. Bonds2

About 4-(4-ethylphenyl)piperidine;hydrochloride

4-(4-ethylphenyl)piperidine;hydrochloride (PubChem CID 13078431) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 4-(4-ethylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-ethylphenyl)piperidine;hydrochloride
PubChem CID13078431
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name4-(4-ethylphenyl)piperidine;hydrochloride
SMILESCCc1ccc(C2CCNCC2)cc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKeyNYOPZWCTTGYZBS-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)piperidine;hydrochloride?
The IUPAC name of 4-(4-ethylphenyl)piperidine;hydrochloride (CID 13078431) is 4-(4-ethylphenyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-ethylphenyl)piperidine;hydrochloride?
The canonical SMILES for 4-(4-ethylphenyl)piperidine;hydrochloride is CCc1ccc(C2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-ethylphenyl)piperidine;hydrochloride?
The InChIKey is NYOPZWCTTGYZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;/h3-6,13-14H,2,7-10H2,1H3;1H.
What are the key properties of 4-(4-ethylphenyl)piperidine;hydrochloride?
4-(4-ethylphenyl)piperidine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 13078431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).