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

C12H21N3O2 — CID 115080232

IUPAC1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(CC2CCN(C)CC2)no1
InChIInChI=1S/C12H21N3O2/c1-9(16)7-12-13-11(14-17-12)8-10-3-5-15(2)6-4-10/h9-10,16H,3-8H2,1-2H3
InChIKeyLUYLXIXUNRMRSM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.88
Rot. Bonds4

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

1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 115080232) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID115080232
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(CC2CCN(C)CC2)no1
InChIInChI=1S/C12H21N3O2/c1-9(16)7-12-13-11(14-17-12)8-10-3-5-15(2)6-4-10/h9-10,16H,3-8H2,1-2H3
InChIKeyLUYLXIXUNRMRSM-UHFFFAOYSA-N
XLogP0.88
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081022
3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080068
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115415936
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081314
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56701285
N-methyl-3-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081578
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080267
(3R)-3-[[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 95225307
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115415952
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
CID 42415429

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 115080232) is 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(O)Cc1nc(CC2CCN(C)CC2)no1.
What is the InChIKey of 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is LUYLXIXUNRMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(16)7-12-13-11(14-17-12)8-10-3-5-15(2)6-4-10/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 115080232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).