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

C10H17N3O2 — CID 94145485

IUPAC[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
SMILESCc1noc(CN2CCCC[C@H]2CO)n1
InChIInChI=1S/C10H17N3O2/c1-8-11-10(15-12-8)6-13-5-3-2-4-9(13)7-14/h9,14H,2-7H2,1H3/t9-/m0/s1
InChIKeyCONHQUGAPAYPIG-VIFPVBQESA-N
MW211.26 g/mol
LogP0.72
Rot. Bonds3

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

[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol (PubChem CID 94145485) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
PubChem CID94145485
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
SMILESCc1noc(CN2CCCC[C@H]2CO)n1
InChIInChI=1S/C10H17N3O2/c1-8-11-10(15-12-8)6-13-5-3-2-4-9(13)7-14/h9,14H,2-7H2,1H3/t9-/m0/s1
InChIKeyCONHQUGAPAYPIG-VIFPVBQESA-N
XLogP0.72
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 63848539
5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95308402
N-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 47280772
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanamine
CID 81490551
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62015735
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111434585
[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111858339
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788283
[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol (CID 94145485) is [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol is Cc1noc(CN2CCCC[C@H]2CO)n1.
What is the InChIKey of [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is CONHQUGAPAYPIG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-11-10(15-12-8)6-13-5-3-2-4-9(13)7-14/h9,14H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol?
[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 211.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 94145485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).