(3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine

C10H19F2N — CID 178181823

IUPAC(3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine
SMILESCC[C@]1(C)CN(C)CC[C@@H]1C(F)F
InChIInChI=1S/C10H19F2N/c1-4-10(2)7-13(3)6-5-8(10)9(11)12/h8-9H,4-7H2,1-3H3/t8-,10-/m1/s1
InChIKeyNYGZGVFKLXFSLJ-PSASIEDQSA-N
MW191.26 g/mol
LogP2.62
Rot. Bonds2

About (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine

(3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine (PubChem CID 178181823) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine.

Molecular Properties

Compound Name(3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine
PubChem CID178181823
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name(3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine
SMILESCC[C@]1(C)CN(C)CC[C@@H]1C(F)F
InChIInChI=1S/C10H19F2N/c1-4-10(2)7-13(3)6-5-8(10)9(11)12/h8-9H,4-7H2,1-3H3/t8-,10-/m1/s1
InChIKeyNYGZGVFKLXFSLJ-PSASIEDQSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
CID 176568410
[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 169131305
6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium
CID 144835868
(4-amino-1,3-dimethylpiperidin-3-yl)methanol
CID 18685130
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
5-ethyl-1,3,3-trimethylazepane
CID 155199677
(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine
CID 178101614
3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid
CID 83856314
ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol
CID 178038181
3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane
CID 177006225
3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-6-methyl-6-azaspiro[3.4]octane
CID 177005369
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine?
The IUPAC name of (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine (CID 178181823) is (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine.
What is the SMILES notation for (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine?
The canonical SMILES for (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine is CC[C@]1(C)CN(C)CC[C@@H]1C(F)F.
What is the InChIKey of (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine?
The InChIKey is NYGZGVFKLXFSLJ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H19F2N/c1-4-10(2)7-13(3)6-5-8(10)9(11)12/h8-9H,4-7H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine?
(3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine has a molecular weight of 191.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(difluoromethyl)-3-ethyl-1,3-dimethylpiperidine is sourced from PubChem (CID 178181823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).