1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine

C17H23N3O2 — CID 75375213

IUPAC1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
SMILESCOc1ccc(N2CCC(N(C)Cc3ccon3)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-19(13-14-9-12-22-18-14)15-7-10-20(11-8-15)16-3-5-17(21-2)6-4-16/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3
InChIKeyBYRXLLVUEMORIT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.78
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine

1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine (PubChem CID 75375213) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
PubChem CID75375213
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
SMILESCOc1ccc(N2CCC(N(C)Cc3ccon3)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-19(13-14-9-12-22-18-14)15-7-10-20(11-8-15)16-3-5-17(21-2)6-4-16/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3
InChIKeyBYRXLLVUEMORIT-UHFFFAOYSA-N
XLogP2.78
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine (CID 75375213) is 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine is COc1ccc(N2CCC(N(C)Cc3ccon3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine?
The InChIKey is BYRXLLVUEMORIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19(13-14-9-12-22-18-14)15-7-10-20(11-8-15)16-3-5-17(21-2)6-4-16/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine?
1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 75375213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).