1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone

C15H26N2O2 — CID 114459978

IUPAC1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
SMILESCC(C)(C)C1=CCN(C(=O)CC2CNCCO2)CC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)12-4-7-17(8-5-12)14(18)10-13-11-16-6-9-19-13/h4,13,16H,5-11H2,1-3H3
InChIKeyWREZDMYKOISXGD-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone (PubChem CID 114459978) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
PubChem CID114459978
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
SMILESCC(C)(C)C1=CCN(C(=O)CC2CNCCO2)CC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)12-4-7-17(8-5-12)14(18)10-13-11-16-6-9-19-13/h4,13,16H,5-11H2,1-3H3
InChIKeyWREZDMYKOISXGD-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone (CID 114459978) is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone is CC(C)(C)C1=CCN(C(=O)CC2CNCCO2)CC1.
What is the InChIKey of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone?
The InChIKey is WREZDMYKOISXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)12-4-7-17(8-5-12)14(18)10-13-11-16-6-9-19-13/h4,13,16H,5-11H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone?
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone has a molecular weight of 266.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 114459978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).