4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine

C12H24FN — CID 134373431

IUPAC4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine
SMILESCC(C)C(C)CC1(F)CCN(C)CC1
InChIInChI=1S/C12H24FN/c1-10(2)11(3)9-12(13)5-7-14(4)8-6-12/h10-11H,5-9H2,1-4H3
InChIKeySONFKJYQFYMNSW-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.10
Rot. Bonds3

About 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine

4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine (PubChem CID 134373431) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine
PubChem CID134373431
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine
SMILESCC(C)C(C)CC1(F)CCN(C)CC1
InChIInChI=1S/C12H24FN/c1-10(2)11(3)9-12(13)5-7-14(4)8-6-12/h10-11H,5-9H2,1-4H3
InChIKeySONFKJYQFYMNSW-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
4,4-difluoro-1-methylpiperidine;ethane;ethanol
CID 166533902
N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 178011017
4,4-difluoro-1-methylpiperidine;2-ethoxypropane
CID 168995938
4-iodo-1-methyl-4-(2-methylpropyl)piperidine
CID 143500232
(4-fluoro-1-methylpiperidin-4-yl)-methylphosphane
CID 134365981
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propanamide
CID 155183393
1-methyl-4,4-di(propan-2-yl)piperidine
CID 18740750
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
CID 176561973

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine?
The IUPAC name of 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine (CID 134373431) is 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine.
What is the SMILES notation for 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine?
The canonical SMILES for 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine is CC(C)C(C)CC1(F)CCN(C)CC1.
What is the InChIKey of 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine?
The InChIKey is SONFKJYQFYMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-10(2)11(3)9-12(13)5-7-14(4)8-6-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine?
4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine has a molecular weight of 201.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine is sourced from PubChem (CID 134373431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).