1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol

C12H21N3O2 — CID 94000707

IUPAC1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
SMILESCC(C)c1noc([C@H](C)N2CCC(O)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)11-13-12(17-14-11)9(3)15-6-4-10(16)5-7-15/h8-10,16H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyZRACREDQQCDABM-VIFPVBQESA-N
MW239.32 g/mol
LogP1.71
Rot. Bonds3

About 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol

1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol (PubChem CID 94000707) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
PubChem CID94000707
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
SMILESCC(C)c1noc([C@H](C)N2CCC(O)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)11-13-12(17-14-11)9(3)15-6-4-10(16)5-7-15/h8-10,16H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyZRACREDQQCDABM-VIFPVBQESA-N
XLogP1.71
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
CID 94412485
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate
CID 60512395
4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
CID 86922813
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one
CID 95280047
2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 97019007
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 30741315
N-(3-ethoxypropyl)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 55663726
(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95309892

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol (CID 94000707) is 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol is CC(C)c1noc([C@H](C)N2CCC(O)CC2)n1.
What is the InChIKey of 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The InChIKey is ZRACREDQQCDABM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)11-13-12(17-14-11)9(3)15-6-4-10(16)5-7-15/h8-10,16H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol has a molecular weight of 239.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 94000707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).