4-(difluoromethylidene)-1-methylpiperidin-1-ium

C7H12F2N+ — CID 163990441

IUPAC4-(difluoromethylidene)-1-methylpiperidin-1-ium
SMILESC[NH+]1CCC(=C(F)F)CC1
InChIInChI=1S/C7H11F2N/c1-10-4-2-6(3-5-10)7(8)9/h2-5H2,1H3/p+1
InChIKeyUADNBDXDGPWSDV-UHFFFAOYSA-O
MW148.18 g/mol
LogP0.45
Rot. Bonds

About 4-(difluoromethylidene)-1-methylpiperidin-1-ium

4-(difluoromethylidene)-1-methylpiperidin-1-ium (PubChem CID 163990441) has the molecular formula C7H12F2N+ and a molecular weight of 148.18 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1-methylpiperidin-1-ium.

Molecular Properties

Compound Name4-(difluoromethylidene)-1-methylpiperidin-1-ium
PubChem CID163990441
Molecular FormulaC7H12F2N+
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name4-(difluoromethylidene)-1-methylpiperidin-1-ium
SMILESC[NH+]1CCC(=C(F)F)CC1
InChIInChI=1S/C7H11F2N/c1-10-4-2-6(3-5-10)7(8)9/h2-5H2,1H3/p+1
InChIKeyUADNBDXDGPWSDV-UHFFFAOYSA-O
XLogP0.45
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 4-(difluoromethylidene)-1-methylpiperidin-1-ium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1-methylpiperidin-1-ium?
The IUPAC name of 4-(difluoromethylidene)-1-methylpiperidin-1-ium (CID 163990441) is 4-(difluoromethylidene)-1-methylpiperidin-1-ium.
What is the SMILES notation for 4-(difluoromethylidene)-1-methylpiperidin-1-ium?
The canonical SMILES for 4-(difluoromethylidene)-1-methylpiperidin-1-ium is C[NH+]1CCC(=C(F)F)CC1.
What is the InChIKey of 4-(difluoromethylidene)-1-methylpiperidin-1-ium?
The InChIKey is UADNBDXDGPWSDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11F2N/c1-10-4-2-6(3-5-10)7(8)9/h2-5H2,1H3/p+1.
What are the key properties of 4-(difluoromethylidene)-1-methylpiperidin-1-ium?
4-(difluoromethylidene)-1-methylpiperidin-1-ium has a molecular weight of 148.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1-methylpiperidin-1-ium is sourced from PubChem (CID 163990441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).