2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine

C24H48N2O — CID 130426494

IUPAC2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(C)(C)CCC(C)(C)C2CCC(C(C)(C)C)CN2)C1
InChIInChI=1S/C24H48N2O/c1-18(2)26-14-15-27-21(17-26)24(8,9)13-12-23(6,7)20-11-10-19(16-25-20)22(3,4)5/h18-21,25H,10-17H2,1-9H3
InChIKeyGZACMFFLWOPDJA-UHFFFAOYSA-N
MW380.66 g/mol
LogP5.34
Rot. Bonds6

About 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine

2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine (PubChem CID 130426494) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine
PubChem CID130426494
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(C)(C)CCC(C)(C)C2CCC(C(C)(C)C)CN2)C1
InChIInChI=1S/C24H48N2O/c1-18(2)26-14-15-27-21(17-26)24(8,9)13-12-23(6,7)20-11-10-19(16-25-20)22(3,4)5/h18-21,25H,10-17H2,1-9H3
InChIKeyGZACMFFLWOPDJA-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 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine (CID 130426494) is 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(C(C)(C)CCC(C)(C)C2CCC(C(C)(C)C)CN2)C1.
What is the InChIKey of 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine?
The InChIKey is GZACMFFLWOPDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O/c1-18(2)26-14-15-27-21(17-26)24(8,9)13-12-23(6,7)20-11-10-19(16-25-20)22(3,4)5/h18-21,25H,10-17H2,1-9H3.
What are the key properties of 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine?
2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine 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 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 130426494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).