1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol

C10H18F3NO2 — CID 104567152

IUPAC1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
SMILESCOCC1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2/c1-16-7-8-3-2-4-14(5-8)6-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyFOZZCFNVLQVGSQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.27
Rot. Bonds4

About 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol (PubChem CID 104567152) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
PubChem CID104567152
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
SMILESCOCC1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2/c1-16-7-8-3-2-4-14(5-8)6-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyFOZZCFNVLQVGSQ-UHFFFAOYSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
CID 106588378
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
1,1,1-trifluoro-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63899673
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
CID 63901490
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanoic acid
CID 80995914
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]butane-1-thiol
CID 106590065
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-ol
CID 106589129
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]pentane-1-thiol
CID 106590062

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol (CID 104567152) is 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol is COCC1CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is FOZZCFNVLQVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-16-7-8-3-2-4-14(5-8)6-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 104567152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).