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

C12H19N3O2 — CID 47035147

IUPAC[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C12H19N3O2/c16-8-9-3-5-15(6-4-9)7-11-13-12(14-17-11)10-1-2-10/h9-10,16H,1-8H2
InChIKeyCXBWOKWRTZVWDY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.15
Rot. Bonds4

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

[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol (PubChem CID 47035147) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
PubChem CID47035147
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C12H19N3O2/c16-8-9-3-5-15(6-4-9)7-11-13-12(14-17-11)10-1-2-10/h9-10,16H,1-8H2
InChIKeyCXBWOKWRTZVWDY-UHFFFAOYSA-N
XLogP1.15
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol (CID 47035147) is [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2nc(C3CC3)no2)CC1.
What is the InChIKey of [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is CXBWOKWRTZVWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-8-9-3-5-15(6-4-9)7-11-13-12(14-17-11)10-1-2-10/h9-10,16H,1-8H2.
What are the key properties of [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47035147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).