3-(1,1-difluoro-2-methylpropyl)piperidine

C9H17F2N — CID 83855168

IUPAC3-(1,1-difluoro-2-methylpropyl)piperidine
SMILESCC(C)C(F)(F)C1CCCNC1
InChIInChI=1S/C9H17F2N/c1-7(2)9(10,11)8-4-3-5-12-6-8/h7-8,12H,3-6H2,1-2H3
InChIKeyVPPCHDGFUOLBHY-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.28
Rot. Bonds2

About 3-(1,1-difluoro-2-methylpropyl)piperidine

3-(1,1-difluoro-2-methylpropyl)piperidine (PubChem CID 83855168) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methylpropyl)piperidine.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methylpropyl)piperidine
PubChem CID83855168
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name3-(1,1-difluoro-2-methylpropyl)piperidine
SMILESCC(C)C(F)(F)C1CCCNC1
InChIInChI=1S/C9H17F2N/c1-7(2)9(10,11)8-4-3-5-12-6-8/h7-8,12H,3-6H2,1-2H3
InChIKeyVPPCHDGFUOLBHY-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride
CID 115058424
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
3-[cyclobutyl(difluoro)methyl]piperidine
CID 105443675
(3R)-3-tert-butylpiperidine
CID 59772800
3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-(2-fluorobut-3-en-2-yl)piperidine
CID 112564785
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814
3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine
CID 116500623
3-[1-fluoro-1-(4-propan-2-ylphenyl)ethyl]piperidine
CID 112564886
3-(2-fluoro-1-methoxypropan-2-yl)piperidine
CID 112564846

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methylpropyl)piperidine?
The IUPAC name of 3-(1,1-difluoro-2-methylpropyl)piperidine (CID 83855168) is 3-(1,1-difluoro-2-methylpropyl)piperidine.
What is the SMILES notation for 3-(1,1-difluoro-2-methylpropyl)piperidine?
The canonical SMILES for 3-(1,1-difluoro-2-methylpropyl)piperidine is CC(C)C(F)(F)C1CCCNC1.
What is the InChIKey of 3-(1,1-difluoro-2-methylpropyl)piperidine?
The InChIKey is VPPCHDGFUOLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)9(10,11)8-4-3-5-12-6-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 3-(1,1-difluoro-2-methylpropyl)piperidine?
3-(1,1-difluoro-2-methylpropyl)piperidine has a molecular weight of 177.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methylpropyl)piperidine is sourced from PubChem (CID 83855168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).