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

C15H22F3N3O3 — CID 72878100

IUPAC(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
SMILESC[C@@H]1CN(Cc2nc(C(F)(F)F)no2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C15H22F3N3O3/c1-10-8-21(9-12-19-13(20-24-12)15(16,17)18)5-4-14(10,22)11-2-6-23-7-3-11/h10-11,22H,2-9H2,1H3/t10-,14+/m1/s1
InChIKeyYMMTXWXYCQDWIZ-YGRLFVJLSA-N
MW349.35 g/mol
LogP2.09
Rot. Bonds3

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

(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol (PubChem CID 72878100) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
PubChem CID72878100
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
SMILESC[C@@H]1CN(Cc2nc(C(F)(F)F)no2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C15H22F3N3O3/c1-10-8-21(9-12-19-13(20-24-12)15(16,17)18)5-4-14(10,22)11-2-6-23-7-3-11/h10-11,22H,2-9H2,1H3/t10-,14+/m1/s1
InChIKeyYMMTXWXYCQDWIZ-YGRLFVJLSA-N
XLogP2.09
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 72840804
(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-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol
CID 70712878
1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 156603731
[(4aR,8aR)-4a-hydroxy-7-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclopentylmethanone
CID 72908835
(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 86283593
(3R,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72861837
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidin-4-ol
CID 72837076
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 122565038
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
CID 70783509
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72880822
3-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 70740281

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol (CID 72878100) is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol is C[C@@H]1CN(Cc2nc(C(F)(F)F)no2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is YMMTXWXYCQDWIZ-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-10-8-21(9-12-19-13(20-24-12)15(16,17)18)5-4-14(10,22)11-2-6-23-7-3-11/h10-11,22H,2-9H2,1H3/t10-,14+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 349.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 72878100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).