1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine

C12H18FN3O — CID 126759845

IUPAC1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
SMILESCOc1ncc(F)cc1CN1CCN(C)CC1
InChIInChI=1S/C12H18FN3O/c1-15-3-5-16(6-4-15)9-10-7-11(13)8-14-12(10)17-2/h7-8H,3-6,9H2,1-2H3
InChIKeyRRWQMJNOCCVORK-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.98
Rot. Bonds3

About 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine

1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine (PubChem CID 126759845) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
PubChem CID126759845
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
SMILESCOc1ncc(F)cc1CN1CCN(C)CC1
InChIInChI=1S/C12H18FN3O/c1-15-3-5-16(6-4-15)9-10-7-11(13)8-14-12(10)17-2/h7-8H,3-6,9H2,1-2H3
InChIKeyRRWQMJNOCCVORK-UHFFFAOYSA-N
XLogP0.98
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]benzenethiol
CID 91656917
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
(5-fluoro-2-methoxy-3-pyridinyl)methyldiazene
CID 89227738
6-(1,1-difluoroethyl)-5-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]pyrimidin-4-one
CID 155726199
3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline
CID 56906629
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine
CID 165147934
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
(3aR,5R,6R,7aS)-6-(1,3-benzodioxol-5-yloxy)-2-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172666969
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
1-[[1-[4-(4-fluorophenyl)phenyl]-5-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 69361491

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine (CID 126759845) is 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine is COc1ncc(F)cc1CN1CCN(C)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine?
The InChIKey is RRWQMJNOCCVORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-15-3-5-16(6-4-15)9-10-7-11(13)8-14-12(10)17-2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine?
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine has a molecular weight of 239.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 126759845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).