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

C13H23N3O3 — CID 70781366

IUPAC(4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCOCc1noc(CN2CC[C@](C)(O)C(C)(C)C2)n1
InChIInChI=1S/C13H23N3O3/c1-12(2)9-16(6-5-13(12,3)17)7-11-14-10(8-18-4)15-19-11/h17H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyBNJGHCQFLIVIIK-ZDUSSCGKSA-N
MW269.34 g/mol
LogP1.20
Rot. Bonds4

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

(4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol (PubChem CID 70781366) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol
PubChem CID70781366
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCOCc1noc(CN2CC[C@](C)(O)C(C)(C)C2)n1
InChIInChI=1S/C13H23N3O3/c1-12(2)9-16(6-5-13(12,3)17)7-11-14-10(8-18-4)15-19-11/h17H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyBNJGHCQFLIVIIK-ZDUSSCGKSA-N
XLogP1.20
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol (CID 70781366) is (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol is COCc1noc(CN2CC[C@](C)(O)C(C)(C)C2)n1.
What is the InChIKey of (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The InChIKey is BNJGHCQFLIVIIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-12(2)9-16(6-5-13(12,3)17)7-11-14-10(8-18-4)15-19-11/h17H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol?
(4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol has a molecular weight of 269.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol is sourced from PubChem (CID 70781366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).