(3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol

C13H23N3O2 — CID 59567924

IUPAC(3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol
SMILESCCc1noc(N2CCC([C@H](C)CCO)CC2)n1
InChIInChI=1S/C13H23N3O2/c1-3-12-14-13(18-15-12)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyJXWUCPLRVRMXPQ-SNVBAGLBSA-N
MW253.35 g/mol
LogP1.87
Rot. Bonds5

About (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol

(3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol (PubChem CID 59567924) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol
PubChem CID59567924
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol
SMILESCCc1noc(N2CCC([C@H](C)CCO)CC2)n1
InChIInChI=1S/C13H23N3O2/c1-3-12-14-13(18-15-12)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyJXWUCPLRVRMXPQ-SNVBAGLBSA-N
XLogP1.87
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol?
The IUPAC name of (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol (CID 59567924) is (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol.
What is the SMILES notation for (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol?
The canonical SMILES for (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol is CCc1noc(N2CCC([C@H](C)CCO)CC2)n1.
What is the InChIKey of (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol?
The InChIKey is JXWUCPLRVRMXPQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-12-14-13(18-15-12)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol?
(3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol is sourced from PubChem (CID 59567924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).