2-chloro-4-(1-methylpiperazin-2-yl)phenol

C11H15ClN2O — CID 82679784

IUPAC2-chloro-4-(1-methylpiperazin-2-yl)phenol
SMILESCN1CCNCC1c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-14-5-4-13-7-10(14)8-2-3-11(15)9(12)6-8/h2-3,6,10,13,15H,4-5,7H2,1H3
InChIKeyLCULCGMSMGKKJU-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.62
Rot. Bonds1

About 2-chloro-4-(1-methylpiperazin-2-yl)phenol

2-chloro-4-(1-methylpiperazin-2-yl)phenol (PubChem CID 82679784) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-(1-methylpiperazin-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-(1-methylpiperazin-2-yl)phenol
PubChem CID82679784
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-(1-methylpiperazin-2-yl)phenol
SMILESCN1CCNCC1c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-14-5-4-13-7-10(14)8-2-3-11(15)9(12)6-8/h2-3,6,10,13,15H,4-5,7H2,1H3
InChIKeyLCULCGMSMGKKJU-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpiperazine
CID 82305373
3-(1-methylpiperazin-2-yl)phenol
CID 55262595
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
4-(1-methylpiperazin-2-yl)benzoic acid
CID 116989147
2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
CID 70977935
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
6-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82294809
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
CID 82086895
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid
CID 22037137
N,N-dimethyl-5-(1-methylpiperazin-2-yl)pyridin-2-amine
CID 131540861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylpiperazin-2-yl)phenol?
The IUPAC name of 2-chloro-4-(1-methylpiperazin-2-yl)phenol (CID 82679784) is 2-chloro-4-(1-methylpiperazin-2-yl)phenol.
What is the SMILES notation for 2-chloro-4-(1-methylpiperazin-2-yl)phenol?
The canonical SMILES for 2-chloro-4-(1-methylpiperazin-2-yl)phenol is CN1CCNCC1c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-methylpiperazin-2-yl)phenol?
The InChIKey is LCULCGMSMGKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14-5-4-13-7-10(14)8-2-3-11(15)9(12)6-8/h2-3,6,10,13,15H,4-5,7H2,1H3.
What are the key properties of 2-chloro-4-(1-methylpiperazin-2-yl)phenol?
2-chloro-4-(1-methylpiperazin-2-yl)phenol has a molecular weight of 226.71 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylpiperazin-2-yl)phenol is sourced from PubChem (CID 82679784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).