2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride

C10H14Cl2N2O — CID 171194348

IUPAC2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
SMILESCl.Oc1c(Cl)cccc1[C@@H]1CNCCN1
InChIInChI=1S/C10H13ClN2O.ClH/c11-8-3-1-2-7(10(8)14)9-6-12-4-5-13-9;/h1-3,9,12-14H,4-6H2;1H/t9-;/m0./s1
InChIKeyPYPIFDJYVRAEEK-FVGYRXGTSA-N
MW249.14 g/mol
LogP1.70
Rot. Bonds1

About 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride

2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride (PubChem CID 171194348) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
PubChem CID171194348
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
SMILESCl.Oc1c(Cl)cccc1[C@@H]1CNCCN1
InChIInChI=1S/C10H13ClN2O.ClH/c11-8-3-1-2-7(10(8)14)9-6-12-4-5-13-9;/h1-3,9,12-14H,4-6H2;1H/t9-;/m0./s1
InChIKeyPYPIFDJYVRAEEK-FVGYRXGTSA-N
XLogP1.70
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-6-[(2S)-piperazin-2-yl]phenol
CID 130640964
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
CID 171259662
2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259694
2-ethoxy-6-[(2S)-piperazin-2-yl]phenol
CID 171194105
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193729
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733
(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 131078848
(2S)-2-(2,6-dichloro-3-pyridinyl)piperazine
CID 131093662
(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine
CID 86317470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride?
The IUPAC name of 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride (CID 171194348) is 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride?
The canonical SMILES for 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride is Cl.Oc1c(Cl)cccc1[C@@H]1CNCCN1.
What is the InChIKey of 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride?
The InChIKey is PYPIFDJYVRAEEK-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13ClN2O.ClH/c11-8-3-1-2-7(10(8)14)9-6-12-4-5-13-9;/h1-3,9,12-14H,4-6H2;1H/t9-;/m0./s1.
What are the key properties of 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride?
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171194348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).