4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

C11H20F3NO — CID 170587389

IUPAC4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOC1(C(C)C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(2)10(16-3)4-6-15(7-5-10)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyFBGCPODKFWCJKI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.69
Rot. Bonds3

About 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 170587389) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID170587389
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOC1(C(C)C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(2)10(16-3)4-6-15(7-5-10)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyFBGCPODKFWCJKI-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
1-(2-Methylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 70967810
1-(2-Methylpropyl)-4-(trifluoromethoxy)piperidine
CID 71263296
1-(1-Methoxyethyl)-4-(trifluoromethyl)piperidine
CID 90935730
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
CID 121404019
1-(2-Fluoroethyl)-4-methoxy-4-methylpiperidine
CID 126990840
4-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 129066643
(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine
CID 129230048
4-Methoxy-1-methyl-3-(trifluoromethyl)piperidine
CID 129271198
1-[1,2,2-Trifluoro-3-(1-fluoropropan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418416
1-Tert-butyl-4-methoxy-4-(trifluoromethyl)piperidine
CID 132046579
4-(2-Methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine
CID 135158582

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (CID 170587389) is 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is COC1(C(C)C)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is FBGCPODKFWCJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(2)10(16-3)4-6-15(7-5-10)8-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 239.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 170587389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).