[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol

C12H21N3O3 — CID 110017032

IUPAC[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
SMILESCOCc1noc(CN2C(C)CCCC2CO)n1
InChIInChI=1S/C12H21N3O3/c1-9-4-3-5-10(7-16)15(9)6-12-13-11(8-17-2)14-18-12/h9-10,16H,3-8H2,1-2H3
InChIKeyRHNTXROBAZNHDS-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.95
Rot. Bonds5

About [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol

[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol (PubChem CID 110017032) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
PubChem CID110017032
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
SMILESCOCc1noc(CN2C(C)CCCC2CO)n1
InChIInChI=1S/C12H21N3O3/c1-9-4-3-5-10(7-16)15(9)6-12-13-11(8-17-2)14-18-12/h9-10,16H,3-8H2,1-2H3
InChIKeyRHNTXROBAZNHDS-UHFFFAOYSA-N
XLogP0.95
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
CID 110016891
[(1R,2S)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptyl]methanol
CID 99613956
[3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751780
(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol
CID 155494816
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401133
5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 127755566
[(2R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 42362376
5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 128512606
(3aR,6aR)-5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599601
[6-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]methanol
CID 110016925
[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol?
The IUPAC name of [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol (CID 110017032) is [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol is COCc1noc(CN2C(C)CCCC2CO)n1.
What is the InChIKey of [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol?
The InChIKey is RHNTXROBAZNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9-4-3-5-10(7-16)15(9)6-12-13-11(8-17-2)14-18-12/h9-10,16H,3-8H2,1-2H3.
What are the key properties of [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol?
[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 110017032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).