(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

C13H21ClN2O2 — CID 171183352

IUPAC(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1ccc([C@H](CO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-17-12-4-2-11(3-5-12)13(10-16)15-8-6-14-7-9-15;/h2-5,13-14,16H,6-10H2,1H3;1H/t13-;/m0./s1
InChIKeyWOPPXLMMHHBNLN-ZOWNYOTGSA-N
MW272.78 g/mol
LogP1.06
Rot. Bonds4

About (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183352) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183352
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1ccc([C@H](CO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-17-12-4-2-11(3-5-12)13(10-16)15-8-6-14-7-9-15;/h2-5,13-14,16H,6-10H2,1H3;1H/t13-;/m0./s1
InChIKeyWOPPXLMMHHBNLN-ZOWNYOTGSA-N
XLogP1.06
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183352) is (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is COc1ccc([C@H](CO)N2CCNCC2)cc1.Cl.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is WOPPXLMMHHBNLN-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-17-12-4-2-11(3-5-12)13(10-16)15-8-6-14-7-9-15;/h2-5,13-14,16H,6-10H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).