3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine

C17H34N2O — CID 134339556

IUPAC3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine
SMILESCC(C)(C)C1CCN(CC(C)(C)C2COCCN2)CC1
InChIInChI=1S/C17H34N2O/c1-16(2,3)14-6-9-19(10-7-14)13-17(4,5)15-12-20-11-8-18-15/h14-15,18H,6-13H2,1-5H3
InChIKeyBMVYUKMSKPTGPI-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds3

About 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine

3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine (PubChem CID 134339556) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine
PubChem CID134339556
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine
SMILESCC(C)(C)C1CCN(CC(C)(C)C2COCCN2)CC1
InChIInChI=1S/C17H34N2O/c1-16(2,3)14-6-9-19(10-7-14)13-17(4,5)15-12-20-11-8-18-15/h14-15,18H,6-13H2,1-5H3
InChIKeyBMVYUKMSKPTGPI-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine?
The IUPAC name of 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine (CID 134339556) is 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine is CC(C)(C)C1CCN(CC(C)(C)C2COCCN2)CC1.
What is the InChIKey of 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine?
The InChIKey is BMVYUKMSKPTGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-16(2,3)14-6-9-19(10-7-14)13-17(4,5)15-12-20-11-8-18-15/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine?
3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 134339556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).