2,2-difluoro-1-methylpiperidin-4-amine

C6H12F2N2 — CID 140783394

IUPAC2,2-difluoro-1-methylpiperidin-4-amine
SMILESCN1CCC(N)CC1(F)F
InChIInChI=1S/C6H12F2N2/c1-10-3-2-5(9)4-6(10,7)8/h5H,2-4,9H2,1H3
InChIKeyCUWQJYZAUDYIMX-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.63
Rot. Bonds

About 2,2-difluoro-1-methylpiperidin-4-amine

2,2-difluoro-1-methylpiperidin-4-amine (PubChem CID 140783394) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-difluoro-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name2,2-difluoro-1-methylpiperidin-4-amine
PubChem CID140783394
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name2,2-difluoro-1-methylpiperidin-4-amine
SMILESCN1CCC(N)CC1(F)F
InChIInChI=1S/C6H12F2N2/c1-10-3-2-5(9)4-6(10,7)8/h5H,2-4,9H2,1H3
InChIKeyCUWQJYZAUDYIMX-UHFFFAOYSA-N
XLogP0.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2,2-difluoro-1-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

Related Compounds

4-Amino-1-methylpiperidine
CID 2737531
1-Ethylpiperidin-4-amine
CID 3734990
1-(2,2,2-Trifluoroethyl)piperidin-4-amine
CID 16228722
1-(2,2-Difluoroethyl)-4-piperidinamine
CID 25252389
1-(2,2,2-Trifluoroethyl)piperidin-4-amine dihydrochloride
CID 42937270
4-(3,3-Difluoroazetidin-1-yl)piperidine
CID 59605680
3-(4,4-Difluoropiperidin-1-yl)propan-1-amine
CID 66570737
4,4-Difluoro-2-methylpiperidine hydrochloride
CID 72207650
1-(2,2-Difluoroethyl)piperidin-4-amine dihydrochloride
CID 75480778
(4,4-Difluoro-1-methylpiperidin-3-yl)methanamine
CID 83854893
1-(2-Fluoroethyl)piperidin-4-amine dihydrochloride
CID 86637499
1-(2-Fluoroethyl)-4-piperidinamine hydrochloride
CID 87367240

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methylpiperidin-4-amine?
The IUPAC name of 2,2-difluoro-1-methylpiperidin-4-amine (CID 140783394) is 2,2-difluoro-1-methylpiperidin-4-amine.
What is the SMILES notation for 2,2-difluoro-1-methylpiperidin-4-amine?
The canonical SMILES for 2,2-difluoro-1-methylpiperidin-4-amine is CN1CCC(N)CC1(F)F.
What is the InChIKey of 2,2-difluoro-1-methylpiperidin-4-amine?
The InChIKey is CUWQJYZAUDYIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-10-3-2-5(9)4-6(10,7)8/h5H,2-4,9H2,1H3.
What are the key properties of 2,2-difluoro-1-methylpiperidin-4-amine?
2,2-difluoro-1-methylpiperidin-4-amine has a molecular weight of 150.17 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methylpiperidin-4-amine is sourced from PubChem (CID 140783394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).