1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine

C12H17FN2O — CID 82509697

IUPAC1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1c(F)cccc1CN1CCNCC1
InChIInChI=1S/C12H17FN2O/c1-16-12-10(3-2-4-11(12)13)9-15-7-5-14-6-8-15/h2-4,14H,5-9H2,1H3
InChIKeyILFQXITWGYYZCJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.24
Rot. Bonds3

About 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine

1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine (PubChem CID 82509697) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
PubChem CID82509697
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1c(F)cccc1CN1CCNCC1
InChIInChI=1S/C12H17FN2O/c1-16-12-10(3-2-4-11(12)13)9-15-7-5-14-6-8-15/h2-4,14H,5-9H2,1H3
InChIKeyILFQXITWGYYZCJ-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 167713386
1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
1-[(3-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 167713391
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
CID 117424714
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
(1R,5S)-3-[(3-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135090423

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine (CID 82509697) is 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine is COc1c(F)cccc1CN1CCNCC1.
What is the InChIKey of 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine?
The InChIKey is ILFQXITWGYYZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-16-12-10(3-2-4-11(12)13)9-15-7-5-14-6-8-15/h2-4,14H,5-9H2,1H3.
What are the key properties of 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine?
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine has a molecular weight of 224.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 82509697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).