2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride

C12H18Cl2N2O2 — CID 171183032

IUPAC2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
SMILESCl.OC[C@H](c1cccc(Cl)c1O)N1CCNCC1
InChIInChI=1S/C12H17ClN2O2.ClH/c13-10-3-1-2-9(12(10)17)11(8-16)15-6-4-14-5-7-15;/h1-3,11,14,16-17H,4-8H2;1H/t11-;/m1./s1
InChIKeyNUUMUMUWPHFHSH-RFVHGSKJSA-N
MW293.19 g/mol
LogP1.41
Rot. Bonds3

About 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride

2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride (PubChem CID 171183032) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
PubChem CID171183032
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
SMILESCl.OC[C@H](c1cccc(Cl)c1O)N1CCNCC1
InChIInChI=1S/C12H17ClN2O2.ClH/c13-10-3-1-2-9(12(10)17)11(8-16)15-6-4-14-5-7-15;/h1-3,11,14,16-17H,4-8H2;1H/t11-;/m1./s1
InChIKeyNUUMUMUWPHFHSH-RFVHGSKJSA-N
XLogP1.41
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171182500
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
2-chloro-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171277444
2-chloro-6-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171290078
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
2-chloro-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305294
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286
3-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol
CID 171189463
2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171173408
4-chloro-2-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]-6-methylphenol;hydrochloride
CID 171183229
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride?
The IUPAC name of 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride (CID 171183032) is 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride.
What is the SMILES notation for 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride?
The canonical SMILES for 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride is Cl.OC[C@H](c1cccc(Cl)c1O)N1CCNCC1.
What is the InChIKey of 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride?
The InChIKey is NUUMUMUWPHFHSH-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c13-10-3-1-2-9(12(10)17)11(8-16)15-6-4-14-5-7-15;/h1-3,11,14,16-17H,4-8H2;1H/t11-;/m1./s1.
What are the key properties of 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride?
2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride is sourced from PubChem (CID 171183032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).