(3S,4S)-3,4-difluoro-4-methylpiperidine

C6H11F2N — CID 125117149

IUPAC(3S,4S)-3,4-difluoro-4-methylpiperidine
SMILESC[C@]1(F)CCNC[C@@H]1F
InChIInChI=1S/C6H11F2N/c1-6(8)2-3-9-4-5(6)7/h5,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyMVLFOADGNMQTJM-WDSKDSINSA-N
MW135.16 g/mol
LogP1.05
Rot. Bonds

About (3S,4S)-3,4-difluoro-4-methylpiperidine

(3S,4S)-3,4-difluoro-4-methylpiperidine (PubChem CID 125117149) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is (3S,4S)-3,4-difluoro-4-methylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3,4-difluoro-4-methylpiperidine
PubChem CID125117149
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name(3S,4S)-3,4-difluoro-4-methylpiperidine
SMILESC[C@]1(F)CCNC[C@@H]1F
InChIInChI=1S/C6H11F2N/c1-6(8)2-3-9-4-5(6)7/h5,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyMVLFOADGNMQTJM-WDSKDSINSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S,4S)-3,4-difluoro-4-methylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-3,4,4-trifluoropiperidine
CID 124662369
(3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine
CID 90183687
3-ethyl-4-fluoro-4-methylpiperidine
CID 84716301
8-fluoro-6-azaspiro[2.5]octane
CID 84717106
4-fluoro-4-methyl-3-propylpiperidine
CID 84716694
3-cyclobutyl-4-fluoro-4-methylpiperidine
CID 84717415
3-cyclohexyl-4-fluoro-4-methylpiperidine
CID 84721139
3-cycloheptyl-4-fluoro-4-methylpiperidine
CID 84723549
4-tert-butyl-4-(trifluoromethyl)piperidine
CID 122629323
ethane;6-methyl-3-azabicyclo[4.1.0]heptane
CID 154650325
ethane;4-fluoro-4-methylpiperidine
CID 142139578
(1S,6S)-7,7-dibromo-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 122163756

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-difluoro-4-methylpiperidine?
The IUPAC name of (3S,4S)-3,4-difluoro-4-methylpiperidine (CID 125117149) is (3S,4S)-3,4-difluoro-4-methylpiperidine.
What is the SMILES notation for (3S,4S)-3,4-difluoro-4-methylpiperidine?
The canonical SMILES for (3S,4S)-3,4-difluoro-4-methylpiperidine is C[C@]1(F)CCNC[C@@H]1F.
What is the InChIKey of (3S,4S)-3,4-difluoro-4-methylpiperidine?
The InChIKey is MVLFOADGNMQTJM-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11F2N/c1-6(8)2-3-9-4-5(6)7/h5,9H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3,4-difluoro-4-methylpiperidine?
(3S,4S)-3,4-difluoro-4-methylpiperidine has a molecular weight of 135.16 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-difluoro-4-methylpiperidine is sourced from PubChem (CID 125117149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).