2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride

C10H13Cl3N2O — CID 171193729

IUPAC2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
SMILESCl.Oc1c(Cl)cc([C@H]2CNCCN2)cc1Cl
InChIInChI=1S/C10H12Cl2N2O.ClH/c11-7-3-6(4-8(12)10(7)15)9-5-13-1-2-14-9;/h3-4,9,13-15H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyULNYAEQFMRQHRH-SBSPUUFOSA-N
MW283.59 g/mol
LogP2.35
Rot. Bonds1

About 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride

2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride (PubChem CID 171193729) has the molecular formula C10H13Cl3N2O and a molecular weight of 283.59 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
PubChem CID171193729
Molecular FormulaC10H13Cl3N2O
Molecular Weight283.59 g/mol
Exact Mass282.01
IUPAC Name2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
SMILESCl.Oc1c(Cl)cc([C@H]2CNCCN2)cc1Cl
InChIInChI=1S/C10H12Cl2N2O.ClH/c11-7-3-6(4-8(12)10(7)15)9-5-13-1-2-14-9;/h3-4,9,13-15H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyULNYAEQFMRQHRH-SBSPUUFOSA-N
XLogP2.35
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.59
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride?
The IUPAC name of 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride (CID 171193729) is 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride?
The canonical SMILES for 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride is Cl.Oc1c(Cl)cc([C@H]2CNCCN2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride?
The InChIKey is ULNYAEQFMRQHRH-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12Cl2N2O.ClH/c11-7-3-6(4-8(12)10(7)15)9-5-13-1-2-14-9;/h3-4,9,13-15H,1-2,5H2;1H/t9-;/m1./s1.
What are the key properties of 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride?
2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride has a molecular weight of 283.59 g/mol, XLogP of 2.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171193729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).