2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine

C18H30N2O — CID 138743398

IUPAC2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine
SMILESCC(C)(C)C1(C(C)(C)C)CN(Cc2ccncc2)CCO1
InChIInChI=1S/C18H30N2O/c1-16(2,3)18(17(4,5)6)14-20(11-12-21-18)13-15-7-9-19-10-8-15/h7-10H,11-14H2,1-6H3
InChIKeyPKIPWPDKTHSXRL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds2

About 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine

2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine (PubChem CID 138743398) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine
PubChem CID138743398
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine
SMILESCC(C)(C)C1(C(C)(C)C)CN(Cc2ccncc2)CCO1
InChIInChI=1S/C18H30N2O/c1-16(2,3)18(17(4,5)6)14-20(11-12-21-18)13-15-7-9-19-10-8-15/h7-10H,11-14H2,1-6H3
InChIKeyPKIPWPDKTHSXRL-UHFFFAOYSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine?
The IUPAC name of 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine (CID 138743398) is 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine.
What is the SMILES notation for 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine?
The canonical SMILES for 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine is CC(C)(C)C1(C(C)(C)C)CN(Cc2ccncc2)CCO1.
What is the InChIKey of 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine?
The InChIKey is PKIPWPDKTHSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2,3)18(17(4,5)6)14-20(11-12-21-18)13-15-7-9-19-10-8-15/h7-10H,11-14H2,1-6H3.
What are the key properties of 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine?
2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine has a molecular weight of 290.45 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine is sourced from PubChem (CID 138743398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).