1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol

C12H21N3O2 — CID 60722318

IUPAC1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
SMILESCCCCc1noc(CN2CCC(O)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-2-3-4-11-13-12(17-14-11)9-15-7-5-10(16)6-8-15/h10,16H,2-9H2,1H3
InChIKeyONMRGKYLWDHKLM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.37
Rot. Bonds5

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

1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol (PubChem CID 60722318) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
PubChem CID60722318
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
SMILESCCCCc1noc(CN2CCC(O)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-2-3-4-11-13-12(17-14-11)9-15-7-5-10(16)6-8-15/h10,16H,2-9H2,1H3
InChIKeyONMRGKYLWDHKLM-UHFFFAOYSA-N
XLogP1.37
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267588
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784953
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 86919634
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55534209
[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95346086
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
3-butyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60978301

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol (CID 60722318) is 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol is CCCCc1noc(CN2CCC(O)CC2)n1.
What is the InChIKey of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is ONMRGKYLWDHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-3-4-11-13-12(17-14-11)9-15-7-5-10(16)6-8-15/h10,16H,2-9H2,1H3.
What are the key properties of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 239.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 60722318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).