6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol

C12H17FN2O2 — CID 117353436

IUPAC6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
SMILESCOc1c(CN2CCNCC2)ccc(F)c1O
InChIInChI=1S/C12H17FN2O2/c1-17-12-9(2-3-10(13)11(12)16)8-15-6-4-14-5-7-15/h2-3,14,16H,4-8H2,1H3
InChIKeyOVRNALYKBKIRGO-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.95
Rot. Bonds3

About 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol

6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol (PubChem CID 117353436) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
PubChem CID117353436
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
SMILESCOc1c(CN2CCNCC2)ccc(F)c1O
InChIInChI=1S/C12H17FN2O2/c1-17-12-9(2-3-10(13)11(12)16)8-15-6-4-14-5-7-15/h2-3,14,16H,4-8H2,1H3
InChIKeyOVRNALYKBKIRGO-UHFFFAOYSA-N
XLogP0.95
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
CID 117424714
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol
CID 117353440
6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
CID 117276907
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117408497

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol (CID 117353436) is 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol is COc1c(CN2CCNCC2)ccc(F)c1O.
What is the InChIKey of 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol?
The InChIKey is OVRNALYKBKIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-17-12-9(2-3-10(13)11(12)16)8-15-6-4-14-5-7-15/h2-3,14,16H,4-8H2,1H3.
What are the key properties of 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol?
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol has a molecular weight of 240.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 117353436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).