4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine

C9H16F3NO — CID 163257602

IUPAC4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOC1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-8(14-2)3-5-13(6-4-8)7-9(10,11)12/h3-7H2,1-2H3
InChIKeyKZXXBEGAYQSDEV-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds2

About 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine

4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 163257602) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID163257602
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOC1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-8(14-2)3-5-13(6-4-8)7-9(10,11)12/h3-7H2,1-2H3
InChIKeyKZXXBEGAYQSDEV-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.05
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
4,4-Difluoro-1-(3-methoxypropyl)piperidine
CID 21035025
1-(2,2-Dimethylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57845663
1-(3,3-Dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57892085
1-(2,2-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58365115
1-Propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 58386313
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
1-Tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 58877825
1-Ethyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644735
1-Propyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644948
1-(2-Methylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 70967810
1-(2,2-Dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
CID 71174605

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine (CID 163257602) is 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine is COC1(C)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is KZXXBEGAYQSDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(14-2)3-5-13(6-4-8)7-9(10,11)12/h3-7H2,1-2H3.
What are the key properties of 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 163257602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).