2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride

C13H21ClN2O3 — CID 171183348

IUPAC2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc([C@H](CO)N2CCNCC2)c(O)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-18-10-2-3-11(13(17)8-10)12(9-16)15-6-4-14-5-7-15;/h2-3,8,12,14,16-17H,4-7,9H2,1H3;1H/t12-;/m0./s1
InChIKeyOXOVQJFPVASYIA-YDALLXLXSA-N
MW288.77 g/mol
LogP0.76
Rot. Bonds4

About 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride

2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride (PubChem CID 171183348) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride
PubChem CID171183348
Molecular FormulaC13H21ClN2O3
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC Name2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc([C@H](CO)N2CCNCC2)c(O)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-18-10-2-3-11(13(17)8-10)12(9-16)15-6-4-14-5-7-15;/h2-3,8,12,14,16-17H,4-7,9H2,1H3;1H/t12-;/m0./s1
InChIKeyOXOVQJFPVASYIA-YDALLXLXSA-N
XLogP0.76
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol;hydrochloride
CID 171168695
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol
CID 171168694
(2S)-2-(2-bromo-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183036
(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174680
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171274014
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171288520
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286637
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride (CID 171183348) is 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride is COc1ccc([C@H](CO)N2CCNCC2)c(O)c1.Cl.
What is the InChIKey of 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride?
The InChIKey is OXOVQJFPVASYIA-YDALLXLXSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-18-10-2-3-11(13(17)8-10)12(9-16)15-6-4-14-5-7-15;/h2-3,8,12,14,16-17H,4-7,9H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride?
2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride has a molecular weight of 288.77 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride is sourced from PubChem (CID 171183348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).