4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol

C10H18N4O2 — CID 106950309

IUPAC4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESCN(C)Cc1noc(C2(O)CCNCC2)n1
InChIInChI=1S/C10H18N4O2/c1-14(2)7-8-12-9(16-13-8)10(15)3-5-11-6-4-10/h11,15H,3-7H2,1-2H3
InChIKeyMYUNVOSDZLRQLU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.30
Rot. Bonds3

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

4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 106950309) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
PubChem CID106950309
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESCN(C)Cc1noc(C2(O)CCNCC2)n1
InChIInChI=1S/C10H18N4O2/c1-14(2)7-8-12-9(16-13-8)10(15)3-5-11-6-4-10/h11,15H,3-7H2,1-2H3
InChIKeyMYUNVOSDZLRQLU-UHFFFAOYSA-N
XLogP-0.30
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950174
N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 79078362
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950155
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950128
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950378
4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950055
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 112558497
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743729
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 106950309) is 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is CN(C)Cc1noc(C2(O)CCNCC2)n1.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The InChIKey is MYUNVOSDZLRQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14(2)7-8-12-9(16-13-8)10(15)3-5-11-6-4-10/h11,15H,3-7H2,1-2H3.
What are the key properties of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 226.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 106950309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).