(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine

C9H17F2NO — CID 129256176

IUPAC(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)O[C@H]1CCNCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-8(2,3)13-7-4-5-12-6-9(7,10)11/h7,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyDDKMWQCLXVAIFZ-ZETCQYMHSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds1

About (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine

(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 129256176) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Name(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID129256176
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)O[C@H]1CCNCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-8(2,3)13-7-4-5-12-6-9(7,10)11/h7,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyDDKMWQCLXVAIFZ-ZETCQYMHSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine (CID 129256176) is (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine is CC(C)(C)O[C@H]1CCNCC1(F)F.
What is the InChIKey of (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is DDKMWQCLXVAIFZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2,3)13-7-4-5-12-6-9(7,10)11/h7,12H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine?
(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 129256176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).