1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine

C12H18FN3 — CID 104956316

IUPAC1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(Cc2cncc(F)c2)CCN1
InChIInChI=1S/C12H18FN3/c1-12(2)9-16(4-3-15-12)8-10-5-11(13)7-14-6-10/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyUVPQXKDBFQZCJZ-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.40
Rot. Bonds2

About 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine

1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine (PubChem CID 104956316) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
PubChem CID104956316
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(Cc2cncc(F)c2)CCN1
InChIInChI=1S/C12H18FN3/c1-12(2)9-16(4-3-15-12)8-10-5-11(13)7-14-6-10/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyUVPQXKDBFQZCJZ-UHFFFAOYSA-N
XLogP1.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1,4-diazepane
CID 114084807
1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine
CID 64925974
1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine
CID 104812297
1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
CID 115970389
1-[(2-bromo-4-fluorophenyl)methyl]-3,3-dimethylpiperazine
CID 64832050
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
CID 105409901
2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine
CID 64831656
[(3S)-1-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 164642791
1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine
CID 82507856
3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine (CID 104956316) is 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine is CC1(C)CN(Cc2cncc(F)c2)CCN1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine?
The InChIKey is UVPQXKDBFQZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-12(2)9-16(4-3-15-12)8-10-5-11(13)7-14-6-10/h5-7,15H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine?
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine has a molecular weight of 223.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine is sourced from PubChem (CID 104956316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).