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

C11H19N3O2 — CID 94087324

IUPAC[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
SMILESCc1noc([C@H](C)N2CCC(CO)CC2)n1
InChIInChI=1S/C11H19N3O2/c1-8(11-12-9(2)13-16-11)14-5-3-10(7-15)4-6-14/h8,10,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyDGAGKURMOVSVPA-QMMMGPOBSA-N
MW225.29 g/mol
LogP1.14
Rot. Bonds3

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

[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol (PubChem CID 94087324) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
PubChem CID94087324
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
SMILESCc1noc([C@H](C)N2CCC(CO)CC2)n1
InChIInChI=1S/C11H19N3O2/c1-8(11-12-9(2)13-16-11)14-5-3-10(7-15)4-6-14/h8,10,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyDGAGKURMOVSVPA-QMMMGPOBSA-N
XLogP1.14
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
[1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 56812956
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 94064055
3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95156815
N-(cyclopropylmethyl)-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 51081862
2-methyl-5-[(1S)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276718
2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276720
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid
CID 136555598

Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol (CID 94087324) is [1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol is Cc1noc([C@H](C)N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol?
The InChIKey is DGAGKURMOVSVPA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(11-12-9(2)13-16-11)14-5-3-10(7-15)4-6-14/h8,10,15H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of [1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol?
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.14, 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-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 94087324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).