1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine

C8H13F2N3 — CID 164647183

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine
SMILESFC1(F)CCCN(C2=NCCN2)C1
InChIInChI=1S/C8H13F2N3/c9-8(10)2-1-5-13(6-8)7-11-3-4-12-7/h1-6H2,(H,11,12)
InChIKeyKMCDXVNKGCBUMU-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.68
Rot. Bonds

About 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine

1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine (PubChem CID 164647183) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine
PubChem CID164647183
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine
SMILESFC1(F)CCCN(C2=NCCN2)C1
InChIInChI=1S/C8H13F2N3/c9-8(10)2-1-5-13(6-8)7-11-3-4-12-7/h1-6H2,(H,11,12)
InChIKeyKMCDXVNKGCBUMU-UHFFFAOYSA-N
XLogP0.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine 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-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine (CID 164647183) is 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine is FC1(F)CCCN(C2=NCCN2)C1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine?
The InChIKey is KMCDXVNKGCBUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c9-8(10)2-1-5-13(6-8)7-11-3-4-12-7/h1-6H2,(H,11,12).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine?
1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine has a molecular weight of 189.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-3,3-difluoropiperidine is sourced from PubChem (CID 164647183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).