2-chloro-6-piperazin-1-ylphenol

C10H13ClN2O — CID 131297949

IUPAC2-chloro-6-piperazin-1-ylphenol
SMILESOc1c(Cl)cccc1N1CCNCC1
InChIInChI=1S/C10H13ClN2O/c11-8-2-1-3-9(10(8)14)13-6-4-12-5-7-13/h1-3,12,14H,4-7H2
InChIKeyQHGNMMHYMJOXQC-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.46
Rot. Bonds1

About 2-chloro-6-piperazin-1-ylphenol

2-chloro-6-piperazin-1-ylphenol (PubChem CID 131297949) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-6-piperazin-1-ylphenol.

Molecular Properties

Compound Name2-chloro-6-piperazin-1-ylphenol
PubChem CID131297949
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-6-piperazin-1-ylphenol
SMILESOc1c(Cl)cccc1N1CCNCC1
InChIInChI=1S/C10H13ClN2O/c11-8-2-1-3-9(10(8)14)13-6-4-12-5-7-13/h1-3,12,14H,4-7H2
InChIKeyQHGNMMHYMJOXQC-UHFFFAOYSA-N
XLogP1.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-(2-bromo-3-chlorophenyl)piperazine
CID 83744852
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
3-chloro-2-piperazin-1-ylphenol
CID 84679423
1-(2-bromo-3-chlorophenyl)-1,4-diazepane
CID 103481679
2-piperazin-1-yl-6-piperidin-4-ylphenol
CID 165349860
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-(2-chloro-3-nitrophenyl)piperazine
CID 20644619
1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane
CID 142979827
2-chloro-6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171182500
2-chloro-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171277444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-piperazin-1-ylphenol?
The IUPAC name of 2-chloro-6-piperazin-1-ylphenol (CID 131297949) is 2-chloro-6-piperazin-1-ylphenol.
What is the SMILES notation for 2-chloro-6-piperazin-1-ylphenol?
The canonical SMILES for 2-chloro-6-piperazin-1-ylphenol is Oc1c(Cl)cccc1N1CCNCC1.
What is the InChIKey of 2-chloro-6-piperazin-1-ylphenol?
The InChIKey is QHGNMMHYMJOXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-8-2-1-3-9(10(8)14)13-6-4-12-5-7-13/h1-3,12,14H,4-7H2.
What are the key properties of 2-chloro-6-piperazin-1-ylphenol?
2-chloro-6-piperazin-1-ylphenol has a molecular weight of 212.68 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-piperazin-1-ylphenol is sourced from PubChem (CID 131297949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).