2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine

C14H25F2N — CID 66734803

IUPAC2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine
SMILESCN1CCCCC1(C)CC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2N/c1-13(7-3-4-10-17(13)2)11-12-5-8-14(15,16)9-6-12/h12H,3-11H2,1-2H3
InChIKeyGFXLLHQSBJXCRF-UHFFFAOYSA-N
MW245.36 g/mol
LogP4.08
Rot. Bonds2

About 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine

2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine (PubChem CID 66734803) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine
PubChem CID66734803
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine
SMILESCN1CCCCC1(C)CC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2N/c1-13(7-3-4-10-17(13)2)11-12-5-8-14(15,16)9-6-12/h12H,3-11H2,1-2H3
InChIKeyGFXLLHQSBJXCRF-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine 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 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine (CID 66734803) is 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine is CN1CCCCC1(C)CC1CCC(F)(F)CC1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine?
The InChIKey is GFXLLHQSBJXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-13(7-3-4-10-17(13)2)11-12-5-8-14(15,16)9-6-12/h12H,3-11H2,1-2H3.
What are the key properties of 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine?
2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine has a molecular weight of 245.36 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)methyl]-1,2-dimethylpiperidine is sourced from PubChem (CID 66734803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).