6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol

C13H18ClFN2O2 — CID 117466492

IUPAC6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
SMILESCOc1c(CCN2CCNCC2)cc(Cl)c(O)c1F
InChIInChI=1S/C13H18ClFN2O2/c1-19-13-9(8-10(14)12(18)11(13)15)2-5-17-6-3-16-4-7-17/h8,16,18H,2-7H2,1H3
InChIKeySNHROHZJJMVFAE-UHFFFAOYSA-N
MW288.75 g/mol
LogP1.64
Rot. Bonds4

About 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol

6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol (PubChem CID 117466492) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
PubChem CID117466492
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
SMILESCOc1c(CCN2CCNCC2)cc(Cl)c(O)c1F
InChIInChI=1S/C13H18ClFN2O2/c1-19-13-9(8-10(14)12(18)11(13)15)2-5-17-6-3-16-4-7-17/h8,16,18H,2-7H2,1H3
InChIKeySNHROHZJJMVFAE-UHFFFAOYSA-N
XLogP1.64
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
CID 117466502
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117437157
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol (CID 117466492) is 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol is COc1c(CCN2CCNCC2)cc(Cl)c(O)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol?
The InChIKey is SNHROHZJJMVFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2/c1-19-13-9(8-10(14)12(18)11(13)15)2-5-17-6-3-16-4-7-17/h8,16,18H,2-7H2,1H3.
What are the key properties of 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol?
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol has a molecular weight of 288.75 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 117466492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).