(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

C14H23ClN2O3 — CID 171182890

IUPAC(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1ccc([C@@H](CO)N2CCNCC2)cc1OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-18-13-4-3-11(9-14(13)19-2)12(10-17)16-7-5-15-6-8-16;/h3-4,9,12,15,17H,5-8,10H2,1-2H3;1H/t12-;/m1./s1
InChIKeyBGATZCHQRXGTFE-UTONKHPSSA-N
MW302.80 g/mol
LogP1.06
Rot. Bonds5

About (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171182890) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171182890
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1ccc([C@@H](CO)N2CCNCC2)cc1OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-18-13-4-3-11(9-14(13)19-2)12(10-17)16-7-5-15-6-8-16;/h3-4,9,12,15,17H,5-8,10H2,1-2H3;1H/t12-;/m1./s1
InChIKeyBGATZCHQRXGTFE-UTONKHPSSA-N
XLogP1.06
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171183530
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
(2S)-2-(4-methoxy-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182985
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171182890) is (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is COc1ccc([C@@H](CO)N2CCNCC2)cc1OC.Cl.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is BGATZCHQRXGTFE-UTONKHPSSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-18-13-4-3-11(9-14(13)19-2)12(10-17)16-7-5-15-6-8-16;/h3-4,9,12,15,17H,5-8,10H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171182890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).