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

C16H25F3N4O3 — CID 72840804

IUPAC3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
SMILESCC1(C)CN(Cc2nc(C(F)(F)F)no2)CCC1(O)CN1CCOCC1
InChIInChI=1S/C16H25F3N4O3/c1-14(2)10-23(9-12-20-13(21-26-12)16(17,18)19)4-3-15(14,24)11-22-5-7-25-8-6-22/h24H,3-11H2,1-2H3
InChIKeyHEWNQRWTDGZNON-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.38
Rot. Bonds4

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

3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol (PubChem CID 72840804) has the molecular formula C16H25F3N4O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
PubChem CID72840804
Molecular FormulaC16H25F3N4O3
Molecular Weight378.40 g/mol
Exact Mass378.19
IUPAC Name3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
SMILESCC1(C)CN(Cc2nc(C(F)(F)F)no2)CCC1(O)CN1CCOCC1
InChIInChI=1S/C16H25F3N4O3/c1-14(2)10-23(9-12-20-13(21-26-12)16(17,18)19)4-3-15(14,24)11-22-5-7-25-8-6-22/h24H,3-11H2,1-2H3
InChIKeyHEWNQRWTDGZNON-UHFFFAOYSA-N
XLogP1.38
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 97132110
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 72878100
(4R)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 97125091
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 97110053
3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 72845510
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 72868378
2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 54857179
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 97146942
(5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97140917
5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 171533011
1-[(4R)-4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 97139460

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol (CID 72840804) is 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol is CC1(C)CN(Cc2nc(C(F)(F)F)no2)CCC1(O)CN1CCOCC1.
What is the InChIKey of 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is HEWNQRWTDGZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O3/c1-14(2)10-23(9-12-20-13(21-26-12)16(17,18)19)4-3-15(14,24)11-22-5-7-25-8-6-22/h24H,3-11H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 378.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 72840804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).