4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine

C21H43N3O — CID 134232971

IUPAC4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine
SMILESCN1CCN(CCC(C)(C)CC2CN(CCC(C)(C)C)CCO2)CC1
InChIInChI=1S/C21H43N3O/c1-20(2,3)7-9-24-15-16-25-19(18-24)17-21(4,5)8-10-23-13-11-22(6)12-14-23/h19H,7-18H2,1-6H3
InChIKeySZAHKSJRQCWOCO-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.18
Rot. Bonds7

About 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine

4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine (PubChem CID 134232971) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine
PubChem CID134232971
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC Name4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine
SMILESCN1CCN(CCC(C)(C)CC2CN(CCC(C)(C)C)CCO2)CC1
InChIInChI=1S/C21H43N3O/c1-20(2,3)7-9-24-15-16-25-19(18-24)17-21(4,5)8-10-23-13-11-22(6)12-14-23/h19H,7-18H2,1-6H3
InChIKeySZAHKSJRQCWOCO-UHFFFAOYSA-N
XLogP3.18
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine?
The IUPAC name of 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine (CID 134232971) is 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine?
The canonical SMILES for 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine is CN1CCN(CCC(C)(C)CC2CN(CCC(C)(C)C)CCO2)CC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine?
The InChIKey is SZAHKSJRQCWOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O/c1-20(2,3)7-9-24-15-16-25-19(18-24)17-21(4,5)8-10-23-13-11-22(6)12-14-23/h19H,7-18H2,1-6H3.
What are the key properties of 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine?
4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine has a molecular weight of 353.60 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine is sourced from PubChem (CID 134232971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).