4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine

C18H37N3O — CID 134186187

IUPAC4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine
SMILESCCC(C)(C)N1CCN(C)C(CC(C)CN2CCOCC2)C1
InChIInChI=1S/C18H37N3O/c1-6-18(3,4)21-8-7-19(5)17(15-21)13-16(2)14-20-9-11-22-12-10-20/h16-17H,6-15H2,1-5H3
InChIKeyBKBSKHSRTRCEQX-UHFFFAOYSA-N
MW311.51 g/mol
LogP2.15
Rot. Bonds6

About 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine

4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine (PubChem CID 134186187) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine
PubChem CID134186187
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine
SMILESCCC(C)(C)N1CCN(C)C(CC(C)CN2CCOCC2)C1
InChIInChI=1S/C18H37N3O/c1-6-18(3,4)21-8-7-19(5)17(15-21)13-16(2)14-20-9-11-22-12-10-20/h16-17H,6-15H2,1-5H3
InChIKeyBKBSKHSRTRCEQX-UHFFFAOYSA-N
XLogP2.15
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine?
The IUPAC name of 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine (CID 134186187) is 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine?
The canonical SMILES for 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine is CCC(C)(C)N1CCN(C)C(CC(C)CN2CCOCC2)C1.
What is the InChIKey of 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine?
The InChIKey is BKBSKHSRTRCEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-6-18(3,4)21-8-7-19(5)17(15-21)13-16(2)14-20-9-11-22-12-10-20/h16-17H,6-15H2,1-5H3.
What are the key properties of 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine?
4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine has a molecular weight of 311.51 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine is sourced from PubChem (CID 134186187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).