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1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)piperidin-4-OL

HCID 21897744
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
832714-37-1
Standard SMILES
CC(C)c1noc(N2CCC(O)CC2)n1
InChIKey
SNAOGTUJDXPNEK-UHFFFAOYSA-N
Molecular formula
C10H17N3O2
Average molar mass
211.26 g/mol
Monoisotopic mass
211.13207678

Names & identifiers

Preferred name
1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)piperidin-4-OL
IUPAC
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
English name
1-[3-(1-Methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinol
Molecular formula
C10H17N3O2
Molecular weight
211.26

Names & synonyms

832714-37-11-(3-ISOPROPYL-1,2,4-OXADIAZOL-5-YL)PIPERIDIN-4-OL1-[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-olCHEMBL2177769SCHEMBL354846SCHEMBL57790931-(3-isopropyl-[1,2,4]oxadiazol-5-yl)piperidin-4-olDTXSID40619655SNAOGTUJDXPNEK-UHFFFAOYSA-NBDBM50400387AKOS015901761
Show more names
4-Hydroxy-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine1-[3-(1-Methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinol4-Piperidinol, 1-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-
DB-3628001-(3-iso-propyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol1-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-4-ol

Database identifiers

CAS
832714-37-1
PubChem CID
21897744
DTXSID
DTXSID40619655
ChEMBL
CHEMBL2177769

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
62.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
205

Physicochemical properties

Density
1.186 · 1.186

Chemistry & industry

Suppliers10 total

南京爱珂医药科技有限公司025-58395930 · [email protected]
武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
上海默衡科技有限公司15001930925 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海安娅医药科技有限公司19106202509 · [email protected]
上海兰科化学有限公司021-61916491 15921747686 · [email protected]
重庆卡兰医药有限公司[email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
上海嘉捷生物科技有限公司19542788059

Related reactions

35 records
New reaction record
HRID 68788 reaction equation
HRID 68788As productuspto-grants-2014_09
HRID 68789 reaction equation
HRID 68789As reactantuspto-grants-2014_09
HRID 100750 reaction equation
HRID 100750As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 116938 reaction equation
HRID 116938As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 157370 reaction equation
HRID 157370As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 532488 reaction equation
HRID 532488As reactantuspto-grants-2014_10
HRID 532495 reaction equation
HRID 532495As reactantuspto-grants-2014_10
HRID 693800 reaction equation
HRID 693800As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
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Compound notes

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