4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine

C10H17N3O — CID 123456570

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine
SMILESCc1coc(CC2CCN(N)CC2)n1
InChIInChI=1S/C10H17N3O/c1-8-7-14-10(12-8)6-9-2-4-13(11)5-3-9/h7,9H,2-6,11H2,1H3
InChIKeyJLHVBKPAQGLTCP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.11
Rot. Bonds2

About 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine

4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine (PubChem CID 123456570) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine
PubChem CID123456570
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine
SMILESCc1coc(CC2CCN(N)CC2)n1
InChIInChI=1S/C10H17N3O/c1-8-7-14-10(12-8)6-9-2-4-13(11)5-3-9/h7,9H,2-6,11H2,1H3
InChIKeyJLHVBKPAQGLTCP-UHFFFAOYSA-N
XLogP1.11
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine (CID 123456570) is 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine is Cc1coc(CC2CCN(N)CC2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine?
The InChIKey is JLHVBKPAQGLTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-7-14-10(12-8)6-9-2-4-13(11)5-3-9/h7,9H,2-6,11H2,1H3.
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine?
4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 123456570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).