(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol

C20H26N2O3 — CID 171183197

IUPAC(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCOc1ccc([C@@H](CO)N2CCNCC2)cc1OCc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-24-19-8-7-17(18(14-23)22-11-9-21-10-12-22)13-20(19)25-15-16-5-3-2-4-6-16/h2-8,13,18,21,23H,9-12,14-15H2,1H3/t18-/m1/s1
InChIKeyHISCNVINXHBWLC-GOSISDBHSA-N
MW342.44 g/mol
LogP2.21
Rot. Bonds7

About (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol

(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 171183197) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
PubChem CID171183197
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCOc1ccc([C@@H](CO)N2CCNCC2)cc1OCc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-24-19-8-7-17(18(14-23)22-11-9-21-10-12-22)13-20(19)25-15-16-5-3-2-4-6-16/h2-8,13,18,21,23H,9-12,14-15H2,1H3/t18-/m1/s1
InChIKeyHISCNVINXHBWLC-GOSISDBHSA-N
XLogP2.21
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
1-[(1R)-4,4,4-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)butyl]piperazine;hydrochloride
CID 171172530
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171304822
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189657
(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189208
1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282129
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol (CID 171183197) is (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol is COc1ccc([C@@H](CO)N2CCNCC2)cc1OCc1ccccc1.
What is the InChIKey of (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is HISCNVINXHBWLC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-19-8-7-17(18(14-23)22-11-9-21-10-12-22)13-20(19)25-15-16-5-3-2-4-6-16/h2-8,13,18,21,23H,9-12,14-15H2,1H3/t18-/m1/s1.
What are the key properties of (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 342.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 171183197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).