(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol

C14H22N2O3 — CID 93471010

IUPAC(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCOc1cc(OC)cc([C@@H](CO)N2CCNCC2)c1
InChIInChI=1S/C14H22N2O3/c1-18-12-7-11(8-13(9-12)19-2)14(10-17)16-5-3-15-4-6-16/h7-9,14-15,17H,3-6,10H2,1-2H3/t14-/m1/s1
InChIKeyFUEKOECMHLZTFF-CQSZACIVSA-N
MW266.34 g/mol
LogP0.64
Rot. Bonds5

About (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol

(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 93471010) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
PubChem CID93471010
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCOc1cc(OC)cc([C@@H](CO)N2CCNCC2)c1
InChIInChI=1S/C14H22N2O3/c1-18-12-7-11(8-13(9-12)19-2)14(10-17)16-5-3-15-4-6-16/h7-9,14-15,17H,3-6,10H2,1-2H3/t14-/m1/s1
InChIKeyFUEKOECMHLZTFF-CQSZACIVSA-N
XLogP0.64
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-diazepan-1-yl)-2-(3,5-dimethoxyphenyl)ethanol
CID 61050429
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171273682
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
(3S)-3-(3,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305828
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
2-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanol
CID 61210767
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol (CID 93471010) is (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol is COc1cc(OC)cc([C@@H](CO)N2CCNCC2)c1.
What is the InChIKey of (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is FUEKOECMHLZTFF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-12-7-11(8-13(9-12)19-2)14(10-17)16-5-3-15-4-6-16/h7-9,14-15,17H,3-6,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol?
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 266.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 93471010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).