4-(1-tert-butylpiperidin-4-yl)morpholin-3-one

C13H24N2O2 — CID 58674802

IUPAC4-(1-tert-butylpiperidin-4-yl)morpholin-3-one
SMILESCC(C)(C)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)14-6-4-11(5-7-14)15-8-9-17-10-12(15)16/h11H,4-10H2,1-3H3
InChIKeyHAXDLWDGWYTNNK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds1

About 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one

4-(1-tert-butylpiperidin-4-yl)morpholin-3-one (PubChem CID 58674802) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)morpholin-3-one
PubChem CID58674802
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(1-tert-butylpiperidin-4-yl)morpholin-3-one
SMILESCC(C)(C)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)14-6-4-11(5-7-14)15-8-9-17-10-12(15)16/h11H,4-10H2,1-3H3
InChIKeyHAXDLWDGWYTNNK-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one (CID 58674802) is 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one is CC(C)(C)N1CCC(N2CCOCC2=O)CC1.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one?
The InChIKey is HAXDLWDGWYTNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)14-6-4-11(5-7-14)15-8-9-17-10-12(15)16/h11H,4-10H2,1-3H3.
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one?
4-(1-tert-butylpiperidin-4-yl)morpholin-3-one has a molecular weight of 240.35 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)morpholin-3-one is sourced from PubChem (CID 58674802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).