4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine

C24H48N2O — CID 138503036

IUPAC4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine
SMILESCC(C)C1CCC(C(C)(C)CCC(C)(C)C2CN(C(C)(C)C)CCO2)NC1
InChIInChI=1S/C24H48N2O/c1-18(2)19-10-11-20(25-16-19)23(6,7)12-13-24(8,9)21-17-26(14-15-27-21)22(3,4)5/h18-21,25H,10-17H2,1-9H3
InChIKeyRVQZGZSAZTWJPY-UHFFFAOYSA-N
MW380.66 g/mol
LogP5.34
Rot. Bonds6

About 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine

4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine (PubChem CID 138503036) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine
PubChem CID138503036
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine
SMILESCC(C)C1CCC(C(C)(C)CCC(C)(C)C2CN(C(C)(C)C)CCO2)NC1
InChIInChI=1S/C24H48N2O/c1-18(2)19-10-11-20(25-16-19)23(6,7)12-13-24(8,9)21-17-26(14-15-27-21)22(3,4)5/h18-21,25H,10-17H2,1-9H3
InChIKeyRVQZGZSAZTWJPY-UHFFFAOYSA-N
XLogP5.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine?
The IUPAC name of 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine (CID 138503036) is 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine.
What is the SMILES notation for 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine?
The canonical SMILES for 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine is CC(C)C1CCC(C(C)(C)CCC(C)(C)C2CN(C(C)(C)C)CCO2)NC1.
What is the InChIKey of 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine?
The InChIKey is RVQZGZSAZTWJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O/c1-18(2)19-10-11-20(25-16-19)23(6,7)12-13-24(8,9)21-17-26(14-15-27-21)22(3,4)5/h18-21,25H,10-17H2,1-9H3.
What are the key properties of 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine?
4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine has a molecular weight of 380.66 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine is sourced from PubChem (CID 138503036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).