2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol

C14H25N3O2 — CID 62357687

IUPAC2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
SMILESCC(C)Cc1nc(CN2CCCC(CCO)C2)no1
InChIInChI=1S/C14H25N3O2/c1-11(2)8-14-15-13(16-19-14)10-17-6-3-4-12(9-17)5-7-18/h11-12,18H,3-10H2,1-2H3
InChIKeySPEBSGKWOLIEKB-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.86
Rot. Bonds6

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

2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol (PubChem CID 62357687) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
PubChem CID62357687
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
SMILESCC(C)Cc1nc(CN2CCCC(CCO)C2)no1
InChIInChI=1S/C14H25N3O2/c1-11(2)8-14-15-13(16-19-14)10-17-6-3-4-12(9-17)5-7-18/h11-12,18H,3-10H2,1-2H3
InChIKeySPEBSGKWOLIEKB-UHFFFAOYSA-N
XLogP1.86
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131931577
3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol
CID 25385068
3-(2-methylpropyl)-5-[[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313120
(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780847
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
1-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]ethanamine
CID 81491345
2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078517
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol
CID 111442495
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62688896

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol (CID 62357687) is 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol is CC(C)Cc1nc(CN2CCCC(CCO)C2)no1.
What is the InChIKey of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol?
The InChIKey is SPEBSGKWOLIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)8-14-15-13(16-19-14)10-17-6-3-4-12(9-17)5-7-18/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol?
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol has a molecular weight of 267.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62357687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).