1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine

C12H20F3NO — CID 169254871

IUPAC1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCOCC1(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H20F3NO/c1-17-9-11(4-5-11)8-16-6-2-10(3-7-16)12(13,14)15/h10H,2-9H2,1H3
InChIKeyJZAONEIVFDEUSD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.69
Rot. Bonds4

About 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine

1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (PubChem CID 169254871) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
PubChem CID169254871
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCOCC1(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H20F3NO/c1-17-9-11(4-5-11)8-16-6-2-10(3-7-16)12(13,14)15/h10H,2-9H2,1H3
InChIKeyJZAONEIVFDEUSD-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170369368
[1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
CID 169315549
4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 169254942
(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 176661044
1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 177009192
3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 170276303
4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 113280991
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 83074157
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
CID 177009766
2-[1-[(4-tert-butylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498092

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (CID 169254871) is 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is COCC1(CN2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is JZAONEIVFDEUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-17-9-11(4-5-11)8-16-6-2-10(3-7-16)12(13,14)15/h10H,2-9H2,1H3.
What are the key properties of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 251.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 169254871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).