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

C10H17F2N — CID 176919471

IUPAC(3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine
SMILESCC[C@]1(C)CN(C)CCC1=C(F)F
InChIInChI=1S/C10H17F2N/c1-4-10(2)7-13(3)6-5-8(10)9(11)12/h4-7H2,1-3H3/t10-/m1/s1
InChIKeyQWVDRZMCXJYWQR-SNVBAGLBSA-N
MW189.25 g/mol
LogP2.89
Rot. Bonds1

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

(3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine (PubChem CID 176919471) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine.

Molecular Properties

Compound Name(3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine
PubChem CID176919471
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine
SMILESCC[C@]1(C)CN(C)CCC1=C(F)F
InChIInChI=1S/C10H17F2N/c1-4-10(2)7-13(3)6-5-8(10)9(11)12/h4-7H2,1-3H3/t10-/m1/s1
InChIKeyQWVDRZMCXJYWQR-SNVBAGLBSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Tert-butyl-1-(3,4,4-trifluorobut-3-enyl)piperidine
CID 58974891
1,2-Ditert-butyl-4-(difluoromethylidene)piperidine
CID 153289848
10,10-Difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane
CID 154670349
4-Prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 155742148
2-(Difluoromethylidene)-7-methyl-7-azaspiro[3.5]nonane
CID 167272208
7-Cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane
CID 167273016
4-(2-Methylbut-3-en-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 167468039
2-Tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine
CID 171756211
2-Tert-butyl-4-(difluoromethylidene)-1-propan-2-ylpiperidine
CID 172103629
4-(2-Methylbut-3-en-2-yl)-1-(1,2,2-trifluoroethyl)piperidine
CID 175567652
1-(Cyclopentylmethyl)-4-(difluoromethylidene)piperidine
CID 176050471
1-Tert-butyl-4-(difluoromethylidene)-3,3-dimethylpiperidine
CID 176294922

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine?
The IUPAC name of (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine (CID 176919471) is (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine.
What is the SMILES notation for (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine?
The canonical SMILES for (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine is CC[C@]1(C)CN(C)CCC1=C(F)F.
What is the InChIKey of (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine?
The InChIKey is QWVDRZMCXJYWQR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17F2N/c1-4-10(2)7-13(3)6-5-8(10)9(11)12/h4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine?
(3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine has a molecular weight of 189.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine is sourced from PubChem (CID 176919471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).