4-(difluoromethyl)piperidin-1-amine

C6H12F2N2 — CID 121201096

IUPAC4-(difluoromethyl)piperidin-1-amine
SMILESNN1CCC(C(F)F)CC1
InChIInChI=1S/C6H12F2N2/c7-6(8)5-1-3-10(9)4-2-5/h5-6H,1-4,9H2
InChIKeyBOQBQYPOOYMFID-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.84
Rot. Bonds1

About 4-(difluoromethyl)piperidin-1-amine

4-(difluoromethyl)piperidin-1-amine (PubChem CID 121201096) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 4-(difluoromethyl)piperidin-1-amine.

Molecular Properties

Compound Name4-(difluoromethyl)piperidin-1-amine
PubChem CID121201096
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name4-(difluoromethyl)piperidin-1-amine
SMILESNN1CCC(C(F)F)CC1
InChIInChI=1S/C6H12F2N2/c7-6(8)5-1-3-10(9)4-2-5/h5-6H,1-4,9H2
InChIKeyBOQBQYPOOYMFID-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 4-(difluoromethyl)piperidin-1-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 4-(difluoromethyl)piperidin-1-amine?
The IUPAC name of 4-(difluoromethyl)piperidin-1-amine (CID 121201096) is 4-(difluoromethyl)piperidin-1-amine.
What is the SMILES notation for 4-(difluoromethyl)piperidin-1-amine?
The canonical SMILES for 4-(difluoromethyl)piperidin-1-amine is NN1CCC(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)piperidin-1-amine?
The InChIKey is BOQBQYPOOYMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c7-6(8)5-1-3-10(9)4-2-5/h5-6H,1-4,9H2.
What are the key properties of 4-(difluoromethyl)piperidin-1-amine?
4-(difluoromethyl)piperidin-1-amine has a molecular weight of 150.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)piperidin-1-amine is sourced from PubChem (CID 121201096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).