1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol

C11H16F3N3O3 — CID 110019482

IUPAC1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCOCc1nc(CN2CCC(O)(C(F)(F)F)CC2)no1
InChIInChI=1S/C11H16F3N3O3/c1-19-7-9-15-8(16-20-9)6-17-4-2-10(18,3-5-17)11(12,13)14/h18H,2-7H2,1H3
InChIKeySEOAFCVYGILAHN-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.11
Rot. Bonds4

About 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 110019482) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID110019482
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCOCc1nc(CN2CCC(O)(C(F)(F)F)CC2)no1
InChIInChI=1S/C11H16F3N3O3/c1-19-7-9-15-8(16-20-9)6-17-4-2-10(18,3-5-17)11(12,13)14/h18H,2-7H2,1H3
InChIKeySEOAFCVYGILAHN-UHFFFAOYSA-N
XLogP1.11
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
CID 70715898
[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 97141044
1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774467
8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78969841
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 130627522
3-[[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 133131575
(3S)-1-(3-methoxypropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97221959
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101300
3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120904126
7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457112

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 110019482) is 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol is COCc1nc(CN2CCC(O)(C(F)(F)F)CC2)no1.
What is the InChIKey of 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is SEOAFCVYGILAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-19-7-9-15-8(16-20-9)6-17-4-2-10(18,3-5-17)11(12,13)14/h18H,2-7H2,1H3.
What are the key properties of 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 295.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 110019482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).