2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine

C18H37N3O — CID 123628455

IUPAC2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine
SMILESCC1CN(C(C)C)CC(CCC2CN(C(C)C)CC(C)O2)N1
InChIInChI=1S/C18H37N3O/c1-13(2)20-9-15(5)19-17(11-20)7-8-18-12-21(14(3)4)10-16(6)22-18/h13-19H,7-12H2,1-6H3
InChIKeyKCCZZSWVOCUVTR-UHFFFAOYSA-N
MW311.51 g/mol
LogP2.34
Rot. Bonds5

About 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine

2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine (PubChem CID 123628455) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine
PubChem CID123628455
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine
SMILESCC1CN(C(C)C)CC(CCC2CN(C(C)C)CC(C)O2)N1
InChIInChI=1S/C18H37N3O/c1-13(2)20-9-15(5)19-17(11-20)7-8-18-12-21(14(3)4)10-16(6)22-18/h13-19H,7-12H2,1-6H3
InChIKeyKCCZZSWVOCUVTR-UHFFFAOYSA-N
XLogP2.34
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine (CID 123628455) is 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine is CC1CN(C(C)C)CC(CCC2CN(C(C)C)CC(C)O2)N1.
What is the InChIKey of 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine?
The InChIKey is KCCZZSWVOCUVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-13(2)20-9-15(5)19-17(11-20)7-8-18-12-21(14(3)4)10-16(6)22-18/h13-19H,7-12H2,1-6H3.
What are the key properties of 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine?
2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine has a molecular weight of 311.51 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 123628455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).