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

C12H18FN3 — CID 104973765

IUPAC1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(Cc2cncc(F)c2)CC(C)N1
InChIInChI=1S/C12H18FN3/c1-9-6-16(7-10(2)15-9)8-11-3-12(13)5-14-4-11/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyYIKXALSEHATDEN-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.40
Rot. Bonds2

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

1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine (PubChem CID 104973765) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
PubChem CID104973765
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(Cc2cncc(F)c2)CC(C)N1
InChIInChI=1S/C12H18FN3/c1-9-6-16(7-10(2)15-9)8-11-3-12(13)5-14-4-11/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyYIKXALSEHATDEN-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

(3aR,6aS)-5-[(5-fluoro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660916
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpiperazine
CID 79701979
4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine
CID 126789555
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923924
3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
CID 114084046
4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
CID 154879461
[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438167
1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923904
3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 104869499

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine (CID 104973765) is 1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine is CC1CN(Cc2cncc(F)c2)CC(C)N1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine?
The InChIKey is YIKXALSEHATDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9-6-16(7-10(2)15-9)8-11-3-12(13)5-14-4-11/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of 1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine?
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-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]-3,5-dimethylpiperazine is sourced from PubChem (CID 104973765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).