1-(2,2-difluorobutyl)-4-ethylpiperidine

C11H21F2N — CID 123670670

IUPAC1-(2,2-difluorobutyl)-4-ethylpiperidine
SMILESCCC1CCN(CC(F)(F)CC)CC1
InChIInChI=1S/C11H21F2N/c1-3-10-5-7-14(8-6-10)9-11(12,13)4-2/h10H,3-9H2,1-2H3
InChIKeyQSKWQHLSAMIGDT-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds4

About 1-(2,2-difluorobutyl)-4-ethylpiperidine

1-(2,2-difluorobutyl)-4-ethylpiperidine (PubChem CID 123670670) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(2,2-difluorobutyl)-4-ethylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluorobutyl)-4-ethylpiperidine
PubChem CID123670670
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name1-(2,2-difluorobutyl)-4-ethylpiperidine
SMILESCCC1CCN(CC(F)(F)CC)CC1
InChIInChI=1S/C11H21F2N/c1-3-10-5-7-14(8-6-10)9-11(12,13)4-2/h10H,3-9H2,1-2H3
InChIKeyQSKWQHLSAMIGDT-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluorobutyl)-4-ethylpiperidine 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-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Propyl-4-methylpiperidine
CID 4100429
N-Isopentylpiperidine
CID 523252
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
4-Fluoro-1,4-dimethylpiperidine
CID 18963723
4,4-Difluoro-1-propylpiperidine
CID 45790542
1-(2,2-Difluoropropyl)piperidine
CID 51357996
(1-(2,2-Difluoroethyl)piperidin-4-yl)methanamine
CID 60922938
1-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]piperidine
CID 145231112
(3R)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541695

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorobutyl)-4-ethylpiperidine?
The IUPAC name of 1-(2,2-difluorobutyl)-4-ethylpiperidine (CID 123670670) is 1-(2,2-difluorobutyl)-4-ethylpiperidine.
What is the SMILES notation for 1-(2,2-difluorobutyl)-4-ethylpiperidine?
The canonical SMILES for 1-(2,2-difluorobutyl)-4-ethylpiperidine is CCC1CCN(CC(F)(F)CC)CC1.
What is the InChIKey of 1-(2,2-difluorobutyl)-4-ethylpiperidine?
The InChIKey is QSKWQHLSAMIGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-3-10-5-7-14(8-6-10)9-11(12,13)4-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2,2-difluorobutyl)-4-ethylpiperidine?
1-(2,2-difluorobutyl)-4-ethylpiperidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorobutyl)-4-ethylpiperidine is sourced from PubChem (CID 123670670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).