5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol

C13H19ClN2O2 — CID 117430088

IUPAC5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
SMILESCOc1cc(CCN2CCNCC2)c(Cl)cc1O
InChIInChI=1S/C13H19ClN2O2/c1-18-13-8-10(11(14)9-12(13)17)2-5-16-6-3-15-4-7-16/h8-9,15,17H,2-7H2,1H3
InChIKeyDGLCBSRXVGAYLR-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.50
Rot. Bonds4

About 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol

5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol (PubChem CID 117430088) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
PubChem CID117430088
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
SMILESCOc1cc(CCN2CCNCC2)c(Cl)cc1O
InChIInChI=1S/C13H19ClN2O2/c1-18-13-8-10(11(14)9-12(13)17)2-5-16-6-3-15-4-7-16/h8-9,15,17H,2-7H2,1H3
InChIKeyDGLCBSRXVGAYLR-UHFFFAOYSA-N
XLogP1.50
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol (CID 117430088) is 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol is COc1cc(CCN2CCNCC2)c(Cl)cc1O.
What is the InChIKey of 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol?
The InChIKey is DGLCBSRXVGAYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-18-13-8-10(11(14)9-12(13)17)2-5-16-6-3-15-4-7-16/h8-9,15,17H,2-7H2,1H3.
What are the key properties of 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol?
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol has a molecular weight of 270.76 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 117430088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).