4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine

C24H49N3O — CID 174115929

IUPAC4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine
SMILESCC(C)(C)C1CN(C(C)(C)CCC(C)(C)C2CN(C(C)(C)C)CCO2)CCN1
InChIInChI=1S/C24H49N3O/c1-21(2,3)19-17-27(14-13-25-19)24(9,10)12-11-23(7,8)20-18-26(15-16-28-20)22(4,5)6/h19-20,25H,11-18H2,1-10H3
InChIKeyLCKDQIXYASHVQV-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.39
Rot. Bonds5

About 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine

4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine (PubChem CID 174115929) has the molecular formula C24H49N3O and a molecular weight of 395.68 g/mol. Its IUPAC name is 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine
PubChem CID174115929
Molecular FormulaC24H49N3O
Molecular Weight395.68 g/mol
Exact Mass395.39
IUPAC Name4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine
SMILESCC(C)(C)C1CN(C(C)(C)CCC(C)(C)C2CN(C(C)(C)C)CCO2)CCN1
InChIInChI=1S/C24H49N3O/c1-21(2,3)19-17-27(14-13-25-19)24(9,10)12-11-23(7,8)20-18-26(15-16-28-20)22(4,5)6/h19-20,25H,11-18H2,1-10H3
InChIKeyLCKDQIXYASHVQV-UHFFFAOYSA-N
XLogP4.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine?
The IUPAC name of 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine (CID 174115929) is 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine.
What is the SMILES notation for 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine?
The canonical SMILES for 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine is CC(C)(C)C1CN(C(C)(C)CCC(C)(C)C2CN(C(C)(C)C)CCO2)CCN1.
What is the InChIKey of 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine?
The InChIKey is LCKDQIXYASHVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O/c1-21(2,3)19-17-27(14-13-25-19)24(9,10)12-11-23(7,8)20-18-26(15-16-28-20)22(4,5)6/h19-20,25H,11-18H2,1-10H3.
What are the key properties of 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine?
4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine has a molecular weight of 395.68 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine is sourced from PubChem (CID 174115929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).