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

C13H22N2O2 — CID 114338091

IUPAC1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
SMILESCc1cc(CN2CCCCC2CC(C)O)no1
InChIInChI=1S/C13H22N2O2/c1-10(16)7-13-5-3-4-6-15(13)9-12-8-11(2)17-14-12/h8,10,13,16H,3-7,9H2,1-2H3
InChIKeyRSDYXZGTBYLYFQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.11
Rot. Bonds4

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

1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol (PubChem CID 114338091) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
PubChem CID114338091
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
SMILESCc1cc(CN2CCCCC2CC(C)O)no1
InChIInChI=1S/C13H22N2O2/c1-10(16)7-13-5-3-4-6-15(13)9-12-8-11(2)17-14-12/h8,10,13,16H,3-7,9H2,1-2H3
InChIKeyRSDYXZGTBYLYFQ-UHFFFAOYSA-N
XLogP2.11
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol (CID 114338091) is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol is Cc1cc(CN2CCCCC2CC(C)O)no1.
What is the InChIKey of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol?
The InChIKey is RSDYXZGTBYLYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(16)7-13-5-3-4-6-15(13)9-12-8-11(2)17-14-12/h8,10,13,16H,3-7,9H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol?
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).