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

C12H21N3O2 — CID 34545420

IUPAC(3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
SMILESCC(C)(C)c1nnc(CN2CCC[C@@H](O)C2)o1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)11-14-13-10(17-11)8-15-6-4-5-9(16)7-15/h9,16H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyBWSGLJXTQKOYLM-SECBINFHSA-N
MW239.32 g/mol
LogP1.32
Rot. Bonds2

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

(3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol (PubChem CID 34545420) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
PubChem CID34545420
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
SMILESCC(C)(C)c1nnc(CN2CCC[C@@H](O)C2)o1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)11-14-13-10(17-11)8-15-6-4-5-9(16)7-15/h9,16H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyBWSGLJXTQKOYLM-SECBINFHSA-N
XLogP1.32
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]ethanol
CID 112326747
1-[1-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327003
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
1-[[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 172900412
(3S*,4S*)-1-[(5-propyl-1,3,4-oxadiazol-2-yl)carbonyl]piperidine-3,4-diol
CID 56879054
(3R*,4R*)-4-(hydroxymethyl)-1-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidinol
CID 56895056

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol (CID 34545420) is (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol is CC(C)(C)c1nnc(CN2CCC[C@@H](O)C2)o1.
What is the InChIKey of (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol?
The InChIKey is BWSGLJXTQKOYLM-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)11-14-13-10(17-11)8-15-6-4-5-9(16)7-15/h9,16H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol?
(3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol has a molecular weight of 239.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 34545420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).