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

C10H17N3O2 — CID 115874237

IUPAC3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol
SMILESCc1nonc1CN1CCCC(C)(O)C1
InChIInChI=1S/C10H17N3O2/c1-8-9(12-15-11-8)6-13-5-3-4-10(2,14)7-13/h14H,3-7H2,1-2H3
InChIKeyREJLWRHXPKTBTL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.72
Rot. Bonds2

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

3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol (PubChem CID 115874237) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol
PubChem CID115874237
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol
SMILESCc1nonc1CN1CCCC(C)(O)C1
InChIInChI=1S/C10H17N3O2/c1-8-9(12-15-11-8)6-13-5-3-4-10(2,14)7-13/h14H,3-7H2,1-2H3
InChIKeyREJLWRHXPKTBTL-UHFFFAOYSA-N
XLogP0.72
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
CID 115873781
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol
CID 103182597
3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 130158026
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
CID 113343970
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 113343938
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol
CID 115873831
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 56866509
3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 115874108

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol (CID 115874237) is 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol is Cc1nonc1CN1CCCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is REJLWRHXPKTBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-9(12-15-11-8)6-13-5-3-4-10(2,14)7-13/h14H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol?
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 211.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 115874237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).