1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol

C13H24N4O2 — CID 106963185

IUPAC1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nnc(CNC(C)(C)C)o2)CC1
InChIInChI=1S/C13H24N4O2/c1-12(2,3)14-9-10-15-16-11(19-10)17-7-5-13(4,18)6-8-17/h14,18H,5-9H2,1-4H3
InChIKeyHEZUIYVMWQAUEU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.31
Rot. Bonds3

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

1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol (PubChem CID 106963185) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
PubChem CID106963185
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nnc(CNC(C)(C)C)o2)CC1
InChIInChI=1S/C13H24N4O2/c1-12(2,3)14-9-10-15-16-11(19-10)17-7-5-13(4,18)6-8-17/h14,18H,5-9H2,1-4H3
InChIKeyHEZUIYVMWQAUEU-UHFFFAOYSA-N
XLogP1.31
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]azepan-4-ol
CID 107409289
N-[[5-(3-methoxy-3-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 107396649
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959479
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106962406
1-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-3-ol
CID 106958843
N-[[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106969286
2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106962476
[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol
CID 106965807
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 107460427
2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
2-(chloromethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957613
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106965699

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol (CID 106963185) is 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2nnc(CNC(C)(C)C)o2)CC1.
What is the InChIKey of 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol?
The InChIKey is HEZUIYVMWQAUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-12(2,3)14-9-10-15-16-11(19-10)17-7-5-13(4,18)6-8-17/h14,18H,5-9H2,1-4H3.
What are the key properties of 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol?
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol has a molecular weight of 268.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 106963185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).