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

C12H18N2O2 — CID 139600412

IUPAC4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
SMILESOC1(Cc2cc(C3CC3)on2)CCNCC1
InChIInChI=1S/C12H18N2O2/c15-12(3-5-13-6-4-12)8-10-7-11(16-14-10)9-1-2-9/h7,9,13,15H,1-6,8H2
InChIKeyRJWDQAUIGSIGAN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.21
Rot. Bonds3

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

4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol (PubChem CID 139600412) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
PubChem CID139600412
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
SMILESOC1(Cc2cc(C3CC3)on2)CCNCC1
InChIInChI=1S/C12H18N2O2/c15-12(3-5-13-6-4-12)8-10-7-11(16-14-10)9-1-2-9/h7,9,13,15H,1-6,8H2
InChIKeyRJWDQAUIGSIGAN-UHFFFAOYSA-N
XLogP1.21
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol (CID 139600412) is 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol is OC1(Cc2cc(C3CC3)on2)CCNCC1.
What is the InChIKey of 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is RJWDQAUIGSIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(3-5-13-6-4-12)8-10-7-11(16-14-10)9-1-2-9/h7,9,13,15H,1-6,8H2.
What are the key properties of 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 222.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 139600412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).