4-methyl-4-(trifluoromethoxymethyl)piperidine

C8H14F3NO — CID 130918611

IUPAC4-methyl-4-(trifluoromethoxymethyl)piperidine
SMILESCC1(COC(F)(F)F)CCNCC1
InChIInChI=1S/C8H14F3NO/c1-7(2-4-12-5-3-7)6-13-8(9,10)11/h12H,2-6H2,1H3
InChIKeyQPIWNAKVWWUQKR-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.91
Rot. Bonds2

About 4-methyl-4-(trifluoromethoxymethyl)piperidine

4-methyl-4-(trifluoromethoxymethyl)piperidine (PubChem CID 130918611) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-methyl-4-(trifluoromethoxymethyl)piperidine.

Molecular Properties

Compound Name4-methyl-4-(trifluoromethoxymethyl)piperidine
PubChem CID130918611
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-methyl-4-(trifluoromethoxymethyl)piperidine
SMILESCC1(COC(F)(F)F)CCNCC1
InChIInChI=1S/C8H14F3NO/c1-7(2-4-12-5-3-7)6-13-8(9,10)11/h12H,2-6H2,1H3
InChIKeyQPIWNAKVWWUQKR-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methoxymethyl)-4-methylpiperidine
CID 22507725
4-((2,2,2-Trifluoroethoxy)methyl)piperidine hydrochloride
CID 45791781
4-((Difluoromethoxy)methyl)piperidine
CID 84717020
4-[(Trifluoromethoxy)methyl]piperidine hydrochloride
CID 132343897
4-(2,2-Difluoro-1-methoxyethyl)piperidine hydrochloride
CID 167736904
4-Fluoro-4-(methoxymethyl)piperidine Hydrochloride
CID 177800655
6,6-Difluoro-2-oxa-8-azaspiro[4.5]decane
CID 21955266
4-[(2,2,2-Trifluoroethoxy)methyl]piperidine
CID 24711278
[4-(Trifluoromethyl)piperidin-4-yl]methanol
CID 53401460
4-(Ethoxymethyl)-4-fluoropiperidine
CID 55295888
4-(2,2,2-Trifluoro-1-methoxyethyl)piperidine
CID 58450384
4-(3,3,3-Trifluoropropoxymethyl)piperidine
CID 64567962

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(trifluoromethoxymethyl)piperidine?
The IUPAC name of 4-methyl-4-(trifluoromethoxymethyl)piperidine (CID 130918611) is 4-methyl-4-(trifluoromethoxymethyl)piperidine.
What is the SMILES notation for 4-methyl-4-(trifluoromethoxymethyl)piperidine?
The canonical SMILES for 4-methyl-4-(trifluoromethoxymethyl)piperidine is CC1(COC(F)(F)F)CCNCC1.
What is the InChIKey of 4-methyl-4-(trifluoromethoxymethyl)piperidine?
The InChIKey is QPIWNAKVWWUQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2-4-12-5-3-7)6-13-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 4-methyl-4-(trifluoromethoxymethyl)piperidine?
4-methyl-4-(trifluoromethoxymethyl)piperidine has a molecular weight of 197.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(trifluoromethoxymethyl)piperidine is sourced from PubChem (CID 130918611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).