(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine

C8H15F2N — CID 178161394

IUPAC(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
SMILESCC[C@H]1CCN(C)CC1(F)F
InChIInChI=1S/C8H15F2N/c1-3-7-4-5-11(2)6-8(7,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyRFBDZPJTMMMZPY-ZETCQYMHSA-N
MW163.21 g/mol
LogP1.98
Rot. Bonds1

About (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine

(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine (PubChem CID 178161394) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
PubChem CID178161394
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
SMILESCC[C@H]1CCN(C)CC1(F)F
InChIInChI=1S/C8H15F2N/c1-3-7-4-5-11(2)6-8(7,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyRFBDZPJTMMMZPY-ZETCQYMHSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-4-ethyl-3,3-difluoro-1-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

1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane
CID 170629245
(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 157352955
(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
CID 176933645
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
2-[(3,3-difluoro-1-methylpiperidin-4-yl)methylsulfanyl]acetic acid
CID 142350707
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
CID 178010503
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
CID 170578014
3-ethyl-1,2,2-trifluoropyrrolidine
CID 162568340
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine?
The IUPAC name of (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine (CID 178161394) is (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine.
What is the SMILES notation for (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine?
The canonical SMILES for (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine is CC[C@H]1CCN(C)CC1(F)F.
What is the InChIKey of (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine?
The InChIKey is RFBDZPJTMMMZPY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-7-4-5-11(2)6-8(7,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine?
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3,3-difluoro-1-methylpiperidine is sourced from PubChem (CID 178161394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).