1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine

C13H23N3O — CID 63256134

IUPAC1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1nc(CN2CCCCC2C(C)N)oc1C
InChIInChI=1S/C13H23N3O/c1-9(14)12-6-4-5-7-16(12)8-13-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3
InChIKeyIGPMTOVWWNVDDF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.99
Rot. Bonds3

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

1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63256134) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID63256134
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1nc(CN2CCCCC2C(C)N)oc1C
InChIInChI=1S/C13H23N3O/c1-9(14)12-6-4-5-7-16(12)8-13-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3
InChIKeyIGPMTOVWWNVDDF-UHFFFAOYSA-N
XLogP1.99
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine (CID 63256134) is 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine is Cc1nc(CN2CCCCC2C(C)N)oc1C.
What is the InChIKey of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is IGPMTOVWWNVDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(14)12-6-4-5-7-16(12)8-13-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3.
What are the key properties of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63256134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).