6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine

C12H18FN3 — CID 175648004

IUPAC6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine
SMILESCc1cc(N2CCCC(CF)C2)nnc1C
InChIInChI=1S/C12H18FN3/c1-9-6-12(15-14-10(9)2)16-5-3-4-11(7-13)8-16/h6,11H,3-5,7-8H2,1-2H3
InChIKeyPMEJVLYRZSKVGA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.28
Rot. Bonds2

About 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine

6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine (PubChem CID 175648004) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine.

Molecular Properties

Compound Name6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine
PubChem CID175648004
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine
SMILESCc1cc(N2CCCC(CF)C2)nnc1C
InChIInChI=1S/C12H18FN3/c1-9-6-12(15-14-10(9)2)16-5-3-4-11(7-13)8-16/h6,11H,3-5,7-8H2,1-2H3
InChIKeyPMEJVLYRZSKVGA-UHFFFAOYSA-N
XLogP2.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline
CID 175648038
2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol
CID 21077795
3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 133489407
6-(3-ethylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 79173430
[1-(5-amino-4-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79172728
6-[3-(fluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 121200980
2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 172880777
7-[3-(fluoromethyl)piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 155941691
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 114869508
N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine
CID 106550545

Frequently Asked Questions

What is the IUPAC name of 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine?
The IUPAC name of 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine (CID 175648004) is 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine.
What is the SMILES notation for 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine?
The canonical SMILES for 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine is Cc1cc(N2CCCC(CF)C2)nnc1C.
What is the InChIKey of 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine?
The InChIKey is PMEJVLYRZSKVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9-6-12(15-14-10(9)2)16-5-3-4-11(7-13)8-16/h6,11H,3-5,7-8H2,1-2H3.
What are the key properties of 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine?
6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine has a molecular weight of 223.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine is sourced from PubChem (CID 175648004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).