(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine

C13H19FN2O — CID 167713386

IUPAC(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1c(F)cccc1CN1CCN[C@H](C)C1
InChIInChI=1S/C13H19FN2O/c1-10-8-16(7-6-15-10)9-11-4-3-5-12(14)13(11)17-2/h3-5,10,15H,6-9H2,1-2H3/t10-/m1/s1
InChIKeyVDBGRIZWGVUCAM-SNVBAGLBSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds3

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

(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine (PubChem CID 167713386) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
PubChem CID167713386
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1c(F)cccc1CN1CCN[C@H](C)C1
InChIInChI=1S/C13H19FN2O/c1-10-8-16(7-6-15-10)9-11-4-3-5-12(14)13(11)17-2/h3-5,10,15H,6-9H2,1-2H3/t10-/m1/s1
InChIKeyVDBGRIZWGVUCAM-SNVBAGLBSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine
CID 120845888
(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845639
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 113453941
1-[(3-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 167713391
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172
(3S)-1-[(3-chloro-2-ethoxyphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845844
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine (CID 167713386) is (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine is COc1c(F)cccc1CN1CCN[C@H](C)C1.
What is the InChIKey of (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine?
The InChIKey is VDBGRIZWGVUCAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-8-16(7-6-15-10)9-11-4-3-5-12(14)13(11)17-2/h3-5,10,15H,6-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine?
(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine has a molecular weight of 238.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 167713386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).