4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol

C13H19ClN2O — CID 117390237

IUPAC4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCc1c(Cl)ccc(O)c1CCN1CCNCC1
InChIInChI=1S/C13H19ClN2O/c1-10-11(13(17)3-2-12(10)14)4-7-16-8-5-15-6-9-16/h2-3,15,17H,4-9H2,1H3
InChIKeyMLMWNDBMRVHOLQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.80
Rot. Bonds3

About 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol

4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol (PubChem CID 117390237) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol
PubChem CID117390237
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCc1c(Cl)ccc(O)c1CCN1CCNCC1
InChIInChI=1S/C13H19ClN2O/c1-10-11(13(17)3-2-12(10)14)4-7-16-8-5-15-6-9-16/h2-3,15,17H,4-9H2,1H3
InChIKeyMLMWNDBMRVHOLQ-UHFFFAOYSA-N
XLogP1.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 82265416
2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
CID 82266205
3-chloro-4-methyl-2-(piperazin-1-ylmethyl)phenol
CID 84800713
4-chloro-3-methyl-2-piperazin-1-ylphenol
CID 84791178
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
3-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzene-1,2-diol
CID 117468862
6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 117498633
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol (CID 117390237) is 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol is Cc1c(Cl)ccc(O)c1CCN1CCNCC1.
What is the InChIKey of 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol?
The InChIKey is MLMWNDBMRVHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-11(13(17)3-2-12(10)14)4-7-16-8-5-15-6-9-16/h2-3,15,17H,4-9H2,1H3.
What are the key properties of 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol?
4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol has a molecular weight of 254.76 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 117390237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).