3,3-difluoro-4-(2-methylpropyl)piperidine;ethane

C11H23F2N — CID 160527245

IUPAC3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
SMILESCC.CC(C)CC1CCNCC1(F)F
InChIInChI=1S/C9H17F2N.C2H6/c1-7(2)5-8-3-4-12-6-9(8,10)11;1-2/h7-8,12H,3-6H2,1-2H3;1-2H3
InChIKeyQVBJYIGAWNJPDF-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.30
Rot. Bonds2

About 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane

3,3-difluoro-4-(2-methylpropyl)piperidine;ethane (PubChem CID 160527245) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
PubChem CID160527245
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Name3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
SMILESCC.CC(C)CC1CCNCC1(F)F
InChIInChI=1S/C9H17F2N.C2H6/c1-7(2)5-8-3-4-12-6-9(8,10)11;1-2/h7-8,12H,3-6H2,1-2H3;1-2H3
InChIKeyQVBJYIGAWNJPDF-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-4-propylpiperidine
CID 84651633
3,3-difluoro-4-propan-2-ylpiperidine
CID 58394614
(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
CID 121261754
3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
CID 84689880
3-(3,3-difluoropiperidin-4-yl)propanoic acid
CID 105446725
(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine
CID 125499591
1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclobutane
CID 157031904
7-(2-methylpropyl)-4-azaspiro[2.4]heptane
CID 105429980
7-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 155087784
1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine
CID 176630065
4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
CID 84701340
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine
CID 134542653

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane?
The IUPAC name of 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane (CID 160527245) is 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane.
What is the SMILES notation for 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane?
The canonical SMILES for 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane is CC.CC(C)CC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane?
The InChIKey is QVBJYIGAWNJPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N.C2H6/c1-7(2)5-8-3-4-12-6-9(8,10)11;1-2/h7-8,12H,3-6H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane?
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane has a molecular weight of 207.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2-methylpropyl)piperidine;ethane is sourced from PubChem (CID 160527245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).