1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine

C8H16F2N2 — CID 60923174

IUPAC1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(CC(F)F)CC1
InChIInChI=1S/C8H16F2N2/c1-11-7-2-4-12(5-3-7)6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyGVZYGQVLMYTMQK-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.94
Rot. Bonds3

About 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine

1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine (PubChem CID 60923174) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
PubChem CID60923174
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(CC(F)F)CC1
InChIInChI=1S/C8H16F2N2/c1-11-7-2-4-12(5-3-7)6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyGVZYGQVLMYTMQK-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine 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 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine (CID 60923174) is 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine is CNC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine?
The InChIKey is GVZYGQVLMYTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-11-7-2-4-12(5-3-7)6-8(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine?
1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine has a molecular weight of 178.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 60923174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).