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

C17H32N4O2 — CID 86893871

IUPAC1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CN(C)Cc2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C17H32N4O2/c1-13(22)10-21-8-6-14(7-9-21)11-20(5)12-15-18-19-16(23-15)17(2,3)4/h13-14,22H,6-12H2,1-5H3
InChIKeyVMWKMKODGWSYNQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.89
Rot. Bonds6

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

1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 86893871) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID86893871
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CN(C)Cc2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C17H32N4O2/c1-13(22)10-21-8-6-14(7-9-21)11-20(5)12-15-18-19-16(23-15)17(2,3)4/h13-14,22H,6-12H2,1-5H3
InChIKeyVMWKMKODGWSYNQ-UHFFFAOYSA-N
XLogP1.89
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 53620541
1-[4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56802846
2-[4-[[(5-Propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 53586306
1-[4-[[(5-Ethyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53590788
3,3-Dimethyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]butan-2-ol
CID 53591524
1-Cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 102559230
2,2,2-Trifluoro-1-[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanol
CID 112327006
1-[1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327028
2,2,2-Trifluoro-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]ethanol
CID 112327116
2-Tert-butyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47027585
(3R*,4R*)-4-(hydroxymethyl)-1-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidinol
CID 56895056
(3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 34545420

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 86893871) is 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol is CC(O)CN1CCC(CN(C)Cc2nnc(C(C)(C)C)o2)CC1.
What is the InChIKey of 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is VMWKMKODGWSYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13(22)10-21-8-6-14(7-9-21)11-20(5)12-15-18-19-16(23-15)17(2,3)4/h13-14,22H,6-12H2,1-5H3.
What are the key properties of 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol?
1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 324.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 86893871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).