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

C19H25ClN2O2 — CID 171183535

IUPAC(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H24N2O2.ClH/c22-14-19(21-12-10-20-11-13-21)17-6-8-18(9-7-17)23-15-16-4-2-1-3-5-16;/h1-9,19-20,22H,10-15H2;1H/t19-;/m0./s1
InChIKeyFHCCOBYHPFMPNX-FYZYNONXSA-N
MW348.87 g/mol
LogP2.63
Rot. Bonds6

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

(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183535) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183535
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H24N2O2.ClH/c22-14-19(21-12-10-20-11-13-21)17-6-8-18(9-7-17)23-15-16-4-2-1-3-5-16;/h1-9,19-20,22H,10-15H2;1H/t19-;/m0./s1
InChIKeyFHCCOBYHPFMPNX-FYZYNONXSA-N
XLogP2.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
(3R)-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307026
1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281131
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
(3R)-2,2-dimethyl-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171190739
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
1-[(1S)-2,2,2-trifluoro-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171293730
(3S)-2,2-difluoro-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171177481
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183535) is (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is Cl.OC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is FHCCOBYHPFMPNX-FYZYNONXSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c22-14-19(21-12-10-20-11-13-21)17-6-8-18(9-7-17)23-15-16-4-2-1-3-5-16;/h1-9,19-20,22H,10-15H2;1H/t19-;/m0./s1.
What are the key properties of (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).