4-(difluoromethylidene)-1,2-dimethylpiperidine

C8H13F2N — CID 170772159

IUPAC4-(difluoromethylidene)-1,2-dimethylpiperidine
SMILESCC1CC(=C(F)F)CCN1C
InChIInChI=1S/C8H13F2N/c1-6-5-7(8(9)10)3-4-11(6)2/h6H,3-5H2,1-2H3
InChIKeyROCGLKWPAALEPN-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds

About 4-(difluoromethylidene)-1,2-dimethylpiperidine

4-(difluoromethylidene)-1,2-dimethylpiperidine (PubChem CID 170772159) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,2-dimethylpiperidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,2-dimethylpiperidine
PubChem CID170772159
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name4-(difluoromethylidene)-1,2-dimethylpiperidine
SMILESCC1CC(=C(F)F)CCN1C
InChIInChI=1S/C8H13F2N/c1-6-5-7(8(9)10)3-4-11(6)2/h6H,3-5H2,1-2H3
InChIKeyROCGLKWPAALEPN-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-methylideneazepane
CID 166484430
(4R,7R)-1,7-dimethylazepan-4-ol
CID 167089908
3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 176664400
1,2-dimethylpyrrolidine;methanol
CID 158560912
4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568485
3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane
CID 177054081
1,2-dimethylpyrrolidine;2-methylbut-2-ene
CID 174662034
1-(2-methyl-4-methylidenepiperidin-1-yl)ethanone
CID 134165353
1,2-dimethylpyrrolidine-3-thione
CID 163903892
(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid
CID 129024324
3,4,8-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 170405728
1,6-dimethylpiperidin-3-ol;ethane
CID 170766589

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,2-dimethylpiperidine?
The IUPAC name of 4-(difluoromethylidene)-1,2-dimethylpiperidine (CID 170772159) is 4-(difluoromethylidene)-1,2-dimethylpiperidine.
What is the SMILES notation for 4-(difluoromethylidene)-1,2-dimethylpiperidine?
The canonical SMILES for 4-(difluoromethylidene)-1,2-dimethylpiperidine is CC1CC(=C(F)F)CCN1C.
What is the InChIKey of 4-(difluoromethylidene)-1,2-dimethylpiperidine?
The InChIKey is ROCGLKWPAALEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6-5-7(8(9)10)3-4-11(6)2/h6H,3-5H2,1-2H3.
What are the key properties of 4-(difluoromethylidene)-1,2-dimethylpiperidine?
4-(difluoromethylidene)-1,2-dimethylpiperidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,2-dimethylpiperidine is sourced from PubChem (CID 170772159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).