1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol

C12H19N3O2 — CID 115873831

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C12H19N3O2/c1-12(16)5-2-6-15(8-12)7-10-13-11(14-17-10)9-3-4-9/h9,16H,2-8H2,1H3
InChIKeyLRUAIZOJPVYNTE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.29
Rot. Bonds3

About 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol (PubChem CID 115873831) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol
PubChem CID115873831
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C12H19N3O2/c1-12(16)5-2-6-15(8-12)7-10-13-11(14-17-10)9-3-4-9/h9,16H,2-8H2,1H3
InChIKeyLRUAIZOJPVYNTE-UHFFFAOYSA-N
XLogP1.29
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120772875
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980356
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 56686775
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556639
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923772
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728887
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperidin-3-ol
CID 115874173
3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 113343938
N-tert-butyl-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 36617338
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
3-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 131943740

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol (CID 115873831) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is LRUAIZOJPVYNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(16)5-2-6-15(8-12)7-10-13-11(14-17-10)9-3-4-9/h9,16H,2-8H2,1H3.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol has a molecular weight of 237.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 115873831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).