1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine

C12H23F2N — CID 167291149

IUPAC1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine
SMILESCCCC(C)C1CCN(CC(F)F)CC1
InChIInChI=1S/C12H23F2N/c1-3-4-10(2)11-5-7-15(8-6-11)9-12(13)14/h10-12H,3-9H2,1-2H3
InChIKeyBLYHSJPJVDUHSW-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.40
Rot. Bonds5

About 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine

1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine (PubChem CID 167291149) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine
PubChem CID167291149
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine
SMILESCCCC(C)C1CCN(CC(F)F)CC1
InChIInChI=1S/C12H23F2N/c1-3-4-10(2)11-5-7-15(8-6-11)9-12(13)14/h10-12H,3-9H2,1-2H3
InChIKeyBLYHSJPJVDUHSW-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine 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

1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 129257459
[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119031603
1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
CID 178010321
2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724759
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
3-chloro-1-(2,2-difluoroethyl)pyrrolidine
CID 63387384
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
octan-2-ylcyclopropane
CID 18968125

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine (CID 167291149) is 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine is CCCC(C)C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine?
The InChIKey is BLYHSJPJVDUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-3-4-10(2)11-5-7-15(8-6-11)9-12(13)14/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine?
1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine has a molecular weight of 219.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine is sourced from PubChem (CID 167291149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).