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

C12H24FN — CID 118552767

IUPAC1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine
SMILESCC(C)(C)CCN1CCC(C)(F)CC1
InChIInChI=1S/C12H24FN/c1-11(2,3)5-8-14-9-6-12(4,13)7-10-14/h5-10H2,1-4H3
InChIKeyVOABTWUIZKSPQB-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.25
Rot. Bonds2

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

1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine (PubChem CID 118552767) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine
PubChem CID118552767
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine
SMILESCC(C)(C)CCN1CCC(C)(F)CC1
InChIInChI=1S/C12H24FN/c1-11(2,3)5-8-14-9-6-12(4,13)7-10-14/h5-10H2,1-4H3
InChIKeyVOABTWUIZKSPQB-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine (CID 118552767) is 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine is CC(C)(C)CCN1CCC(C)(F)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine?
The InChIKey is VOABTWUIZKSPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-11(2,3)5-8-14-9-6-12(4,13)7-10-14/h5-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine?
1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine has a molecular weight of 201.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 118552767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).