(2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride

C16H19ClN2O — CID 171194229

IUPAC(2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride
SMILESCl.c1ccc(Oc2cccc([C@@H]3CNCCN3)c2)cc1
InChIInChI=1S/C16H18N2O.ClH/c1-2-6-14(7-3-1)19-15-8-4-5-13(11-15)16-12-17-9-10-18-16;/h1-8,11,16-18H,9-10,12H2;1H/t16-;/m0./s1
InChIKeyOOABBHXARNZVQU-NTISSMGPSA-N
MW290.79 g/mol
LogP3.13
Rot. Bonds3

About (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride

(2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride (PubChem CID 171194229) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride
PubChem CID171194229
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride
SMILESCl.c1ccc(Oc2cccc([C@@H]3CNCCN3)c2)cc1
InChIInChI=1S/C16H18N2O.ClH/c1-2-6-14(7-3-1)19-15-8-4-5-13(11-15)16-12-17-9-10-18-16;/h1-8,11,16-18H,9-10,12H2;1H/t16-;/m0./s1
InChIKeyOOABBHXARNZVQU-NTISSMGPSA-N
XLogP3.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride (CID 171194229) is (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride is Cl.c1ccc(Oc2cccc([C@@H]3CNCCN3)c2)cc1.
What is the InChIKey of (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride?
The InChIKey is OOABBHXARNZVQU-NTISSMGPSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-2-6-14(7-3-1)19-15-8-4-5-13(11-15)16-12-17-9-10-18-16;/h1-8,11,16-18H,9-10,12H2;1H/t16-;/m0./s1.
What are the key properties of (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride?
(2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 171194229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).