4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine

C15H23NO — CID 140817252

IUPAC4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2ccc(C(C)(C)C)cc2)C1([2H])[2H]
InChIInChI=1S/C15H23NO/c1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16/h4-7H,8-12H2,1-3H3/i8D2,9D2,10D2,11D2
InChIKeyRUUPMOSWZFAMAE-JNJBWJDISA-N
MW241.40 g/mol
LogP2.82
Rot. Bonds2

About 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine

4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine (PubChem CID 140817252) has the molecular formula C15H23NO and a molecular weight of 241.40 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine
PubChem CID140817252
Molecular FormulaC15H23NO
Molecular Weight241.40 g/mol
Exact Mass241.23
IUPAC Name4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2ccc(C(C)(C)C)cc2)C1([2H])[2H]
InChIInChI=1S/C15H23NO/c1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16/h4-7H,8-12H2,1-3H3/i8D2,9D2,10D2,11D2
InChIKeyRUUPMOSWZFAMAE-JNJBWJDISA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine (CID 140817252) is 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine is [2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2ccc(C(C)(C)C)cc2)C1([2H])[2H].
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine?
The InChIKey is RUUPMOSWZFAMAE-JNJBWJDISA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16/h4-7H,8-12H2,1-3H3/i8D2,9D2,10D2,11D2.
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine?
4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine has a molecular weight of 241.40 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine is sourced from PubChem (CID 140817252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).