4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine

C15H30N4O — CID 54198674

IUPAC4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine
SMILESCN1CCN(C2(N3CCOCC3)CCCCCN2)CC1
InChIInChI=1S/C15H30N4O/c1-17-7-9-18(10-8-17)15(5-3-2-4-6-16-15)19-11-13-20-14-12-19/h16H,2-14H2,1H3
InChIKeyJSCUCPIFWSDQEW-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.38
Rot. Bonds2

About 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine

4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine (PubChem CID 54198674) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine
PubChem CID54198674
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine
SMILESCN1CCN(C2(N3CCOCC3)CCCCCN2)CC1
InChIInChI=1S/C15H30N4O/c1-17-7-9-18(10-8-17)15(5-3-2-4-6-16-15)19-11-13-20-14-12-19/h16H,2-14H2,1H3
InChIKeyJSCUCPIFWSDQEW-UHFFFAOYSA-N
XLogP0.38
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine (CID 54198674) is 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine is CN1CCN(C2(N3CCOCC3)CCCCCN2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine?
The InChIKey is JSCUCPIFWSDQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-17-7-9-18(10-8-17)15(5-3-2-4-6-16-15)19-11-13-20-14-12-19/h16H,2-14H2,1H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine?
4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine has a molecular weight of 282.43 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)azepan-2-yl]morpholine is sourced from PubChem (CID 54198674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).