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

C18H23ClN2O2 — CID 171183512

IUPAC(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C18H22N2O2.ClH/c21-14-18(20-12-10-19-11-13-20)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16;/h1-9,18-19,21H,10-14H2;1H/t18-;/m0./s1
InChIKeyPXPWBCBVQPBXGI-FERBBOLQSA-N
MW334.85 g/mol
LogP2.84
Rot. Bonds5

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

(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183512) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183512
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C18H22N2O2.ClH/c21-14-18(20-12-10-19-11-13-20)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16;/h1-9,18-19,21H,10-14H2;1H/t18-;/m0./s1
InChIKeyPXPWBCBVQPBXGI-FERBBOLQSA-N
XLogP2.84
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
1-[(1R)-3-methyl-1-(4-phenoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171292352
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
CID 171165897
1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308008
1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
CID 171309305
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
(3S)-2,2-difluoro-3-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171176910
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183512) is (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is Cl.OC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is PXPWBCBVQPBXGI-FERBBOLQSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c21-14-18(20-12-10-19-11-13-20)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16;/h1-9,18-19,21H,10-14H2;1H/t18-;/m0./s1.
What are the key properties of (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).