1-(3-ethylphenyl)piperazine;hydrochloride

C12H19ClN2 — CID 19911472

IUPAC1-(3-ethylphenyl)piperazine;hydrochloride
SMILESCCc1cccc(N2CCNCC2)c1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14;/h3-5,10,13H,2,6-9H2,1H3;1H
InChIKeyFVOJTIAADUJXBV-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-ethylphenyl)piperazine;hydrochloride

1-(3-ethylphenyl)piperazine;hydrochloride (PubChem CID 19911472) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(3-ethylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-ethylphenyl)piperazine;hydrochloride
PubChem CID19911472
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-(3-ethylphenyl)piperazine;hydrochloride
SMILESCCc1cccc(N2CCNCC2)c1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14;/h3-5,10,13H,2,6-9H2,1H3;1H
InChIKeyFVOJTIAADUJXBV-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-ethylphenyl)piperazine;hydrochloride (CID 19911472) is 1-(3-ethylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-ethylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-ethylphenyl)piperazine;hydrochloride is CCc1cccc(N2CCNCC2)c1.Cl.
What is the InChIKey of 1-(3-ethylphenyl)piperazine;hydrochloride?
The InChIKey is FVOJTIAADUJXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14;/h3-5,10,13H,2,6-9H2,1H3;1H.
What are the key properties of 1-(3-ethylphenyl)piperazine;hydrochloride?
1-(3-ethylphenyl)piperazine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 19911472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).