4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine

C11H20F3NO — CID 177031923

IUPAC4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESCCC(C)OC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-3-9(2)16-10-4-6-15(7-5-10)8-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyAECMGIFCCMDKPZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.83
Rot. Bonds4

About 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine

4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 177031923) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID177031923
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESCCC(C)OC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-3-9(2)16-10-4-6-15(7-5-10)8-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyAECMGIFCCMDKPZ-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine 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-difluoropropyl)-4-propan-2-yloxypiperidine;ethane
CID 176693193
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
[1-(2,2,2-trifluoroethyl)piperidin-4-yl] (2S)-2-(methylamino)propanoate;dihydrochloride
CID 175306104
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]propanoic acid
CID 165389159
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
4-butan-2-yloxypiperidine
CID 43346315
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine (CID 177031923) is 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine is CCC(C)OC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is AECMGIFCCMDKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-9(2)16-10-4-6-15(7-5-10)8-11(12,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine?
4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 239.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 177031923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).