1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine

C17H33F3N2O — CID 143876430

IUPAC1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine
SMILESCC(C)COC1CCN(C)CC1.CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H21NO.C7H12F3N/c1-9(2)8-12-10-4-6-11(3)7-5-10;1-11-4-2-6(3-5-11)7(8,9)10/h9-10H,4-8H2,1-3H3;6H,2-5H2,1H3
InChIKeyJKVLWMCDJNJEEI-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.64
Rot. Bonds3

About 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine

1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine (PubChem CID 143876430) has the molecular formula C17H33F3N2O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine
PubChem CID143876430
Molecular FormulaC17H33F3N2O
Molecular Weight338.46 g/mol
Exact Mass338.25
IUPAC Name1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine
SMILESCC(C)COC1CCN(C)CC1.CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H21NO.C7H12F3N/c1-9(2)8-12-10-4-6-11(3)7-5-10;1-11-4-2-6(3-5-11)7(8,9)10/h9-10H,4-8H2,1-3H3;6H,2-5H2,1H3
InChIKeyJKVLWMCDJNJEEI-UHFFFAOYSA-N
XLogP3.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
CID 54393529
1-[4-(1-Ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine
CID 90825108
2-[1-(4,4-Difluoropiperidin-1-yl)-2-methylpropan-2-yl]-4-(2-methylpropyl)morpholine
CID 130368442
2-[3-(4,4-Difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine
CID 130368452
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-(trifluoromethyl)piperidine
CID 130418400
1-[1,2,2-Trifluoro-3-(1-fluoropropan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418416
1-[1-[4-[(1-Tert-butylpiperidin-4-yl)methoxy]-2-methylbutan-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 135275014
3-Ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine
CID 142768093
4-Ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine
CID 143876529
4,4-Difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine
CID 144926144
4,5-Di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine
CID 146614566
1-(Fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine
CID 155582614

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine (CID 143876430) is 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine is CC(C)COC1CCN(C)CC1.CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine?
The InChIKey is JKVLWMCDJNJEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C7H12F3N/c1-9(2)8-12-10-4-6-11(3)7-5-10;1-11-4-2-6(3-5-11)7(8,9)10/h9-10H,4-8H2,1-3H3;6H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine?
1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine has a molecular weight of 338.46 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 143876430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).