4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine

C16H28F3NO2 — CID 170421877

IUPAC4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCOC1(C(F)(F)F)CCN(CC2(COC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H28F3NO2/c1-13(2,3)22-12-14(5-6-14)11-20-9-7-15(21-4,8-10-20)16(17,18)19/h5-12H2,1-4H3
InChIKeyHSKIWHDTIPJTNY-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.62
Rot. Bonds5

About 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine

4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (PubChem CID 170421877) has the molecular formula C16H28F3NO2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
PubChem CID170421877
Molecular FormulaC16H28F3NO2
Molecular Weight323.40 g/mol
Exact Mass323.21
IUPAC Name4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCOC1(C(F)(F)F)CCN(CC2(COC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H28F3NO2/c1-13(2,3)22-12-14(5-6-14)11-20-9-7-15(21-4,8-10-20)16(17,18)19/h5-12H2,1-4H3
InChIKeyHSKIWHDTIPJTNY-UHFFFAOYSA-N
XLogP3.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
4-Methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 147253901
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane
CID 169228774
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine
CID 169228775
1-[[1-(Methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 169254871
4-[[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 169254942
1-[[1-(Methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
CID 169255870
[1-[[4-Methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
CID 169315033
[1-[[4-Methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate
CID 170305441
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
CID 170343535
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170343538
4-(1,1-Difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170367549

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (CID 170421877) is 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is COC1(C(F)(F)F)CCN(CC2(COC(C)(C)C)CC2)CC1.
What is the InChIKey of 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is HSKIWHDTIPJTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO2/c1-13(2,3)22-12-14(5-6-14)11-20-9-7-15(21-4,8-10-20)16(17,18)19/h5-12H2,1-4H3.
What are the key properties of 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 323.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170421877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).