1-(3,3-dimethylbutyl)-3-fluoropiperidine

C11H22FN — CID 58530907

IUPAC1-(3,3-dimethylbutyl)-3-fluoropiperidine
SMILESCC(C)(C)CCN1CCCC(F)C1
InChIInChI=1S/C11H22FN/c1-11(2,3)6-8-13-7-4-5-10(12)9-13/h10H,4-9H2,1-3H3
InChIKeyXLTNJQUJGDNFFR-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.86
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-3-fluoropiperidine

1-(3,3-dimethylbutyl)-3-fluoropiperidine (PubChem CID 58530907) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-fluoropiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-fluoropiperidine
PubChem CID58530907
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-(3,3-dimethylbutyl)-3-fluoropiperidine
SMILESCC(C)(C)CCN1CCCC(F)C1
InChIInChI=1S/C11H22FN/c1-11(2,3)6-8-13-7-4-5-10(12)9-13/h10H,4-9H2,1-3H3
InChIKeyXLTNJQUJGDNFFR-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Isopentylpiperidine
CID 523252
1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
1,4,4-Trimethylpiperidine
CID 136794
4-Fluoro-1,4-dimethylpiperidine
CID 18963723
1-(2-Fluoropropyl)piperidine
CID 101432305
1-(2,2-Dimethylpropyl)piperidine
CID 14017951
1-Ethyl-3,3-dimethylpiperidine
CID 21606938
(3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine
CID 102380288
(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine
CID 135037327
5-Trimethyl-piperidine hydrochloride
CID 18955363
4,4-Difluoro-1-(3-methylbutyl)piperidine
CID 20811830

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3-fluoropiperidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-fluoropiperidine (CID 58530907) is 1-(3,3-dimethylbutyl)-3-fluoropiperidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-fluoropiperidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-fluoropiperidine is CC(C)(C)CCN1CCCC(F)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-fluoropiperidine?
The InChIKey is XLTNJQUJGDNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2,3)6-8-13-7-4-5-10(12)9-13/h10H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3-fluoropiperidine?
1-(3,3-dimethylbutyl)-3-fluoropiperidine has a molecular weight of 187.30 g/mol, XLogP of 2.86, 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)-3-fluoropiperidine is sourced from PubChem (CID 58530907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).