(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

C20H27ClN2O3 — CID 171183658

IUPAC(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1cc([C@H](CO)N2CCNCC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-24-20-13-17(18(14-23)22-11-9-21-10-12-22)7-8-19(20)25-15-16-5-3-2-4-6-16;/h2-8,13,18,21,23H,9-12,14-15H2,1H3;1H/t18-;/m0./s1
InChIKeyGTAHODNYJAQLQZ-FERBBOLQSA-N
MW378.90 g/mol
LogP2.63
Rot. Bonds7

About (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183658) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183658
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1cc([C@H](CO)N2CCNCC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-24-20-13-17(18(14-23)22-11-9-21-10-12-22)7-8-19(20)25-15-16-5-3-2-4-6-16;/h2-8,13,18,21,23H,9-12,14-15H2,1H3;1H/t18-;/m0./s1
InChIKeyGTAHODNYJAQLQZ-FERBBOLQSA-N
XLogP2.63
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
(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)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655
1-[(1R)-4,4,4-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)butyl]piperazine;hydrochloride
CID 171172530
(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-[(1R)-2,2,2-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine
CID 171181228
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183658) is (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is COc1cc([C@H](CO)N2CCNCC2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is GTAHODNYJAQLQZ-FERBBOLQSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-24-20-13-17(18(14-23)22-11-9-21-10-12-22)7-8-19(20)25-15-16-5-3-2-4-6-16;/h2-8,13,18,21,23H,9-12,14-15H2,1H3;1H/t18-;/m0./s1.
What are the key properties of (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).