4,4-difluoro-2-(2-methylpropyl)piperidine

C9H17F2N — CID 84767422

IUPAC4,4-difluoro-2-(2-methylpropyl)piperidine
SMILESCC(C)CC1CC(F)(F)CCN1
InChIInChI=1S/C9H17F2N/c1-7(2)5-8-6-9(10,11)3-4-12-8/h7-8,12H,3-6H2,1-2H3
InChIKeyPCJNKEUOGZPRBI-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds2

About 4,4-difluoro-2-(2-methylpropyl)piperidine

4,4-difluoro-2-(2-methylpropyl)piperidine (PubChem CID 84767422) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-2-(2-methylpropyl)piperidine
PubChem CID84767422
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4,4-difluoro-2-(2-methylpropyl)piperidine
SMILESCC(C)CC1CC(F)(F)CCN1
InChIInChI=1S/C9H17F2N/c1-7(2)5-8-6-9(10,11)3-4-12-8/h7-8,12H,3-6H2,1-2H3
InChIKeyPCJNKEUOGZPRBI-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-(2-methylpropyl)pyrrolidine
CID 62753360
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one
CID 162574237
3-(2-methylpropyl)morpholine
CID 20811826
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3,5,5-trimethyl-2-(2-methylpropyl)azepane
CID 155002215
1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine
CID 64953652
5-(2-methylpropyl)-1,4-oxazepane
CID 129066958
(6R)-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octane
CID 70228754
1-methanidyl-3-(2-methylpropyl)piperazine
CID 59704463
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
CID 80695147

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(2-methylpropyl)piperidine?
The IUPAC name of 4,4-difluoro-2-(2-methylpropyl)piperidine (CID 84767422) is 4,4-difluoro-2-(2-methylpropyl)piperidine.
What is the SMILES notation for 4,4-difluoro-2-(2-methylpropyl)piperidine?
The canonical SMILES for 4,4-difluoro-2-(2-methylpropyl)piperidine is CC(C)CC1CC(F)(F)CCN1.
What is the InChIKey of 4,4-difluoro-2-(2-methylpropyl)piperidine?
The InChIKey is PCJNKEUOGZPRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)5-8-6-9(10,11)3-4-12-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-2-(2-methylpropyl)piperidine?
4,4-difluoro-2-(2-methylpropyl)piperidine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(2-methylpropyl)piperidine is sourced from PubChem (CID 84767422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).