4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine

C22H45N5O — CID 134308957

IUPAC4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine
SMILESCC(CCC(CCC(C)N1CCOCC1)N1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C22H45N5O/c1-20(25-10-8-23-9-11-25)4-6-22(27-14-12-24(3)13-15-27)7-5-21(2)26-16-18-28-19-17-26/h20-23H,4-19H2,1-3H3
InChIKeyFEIKMMWXQQDFDF-UHFFFAOYSA-N
MW395.64 g/mol
LogP1.18
Rot. Bonds9

About 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine

4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine (PubChem CID 134308957) has the molecular formula C22H45N5O and a molecular weight of 395.64 g/mol. Its IUPAC name is 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine
PubChem CID134308957
Molecular FormulaC22H45N5O
Molecular Weight395.64 g/mol
Exact Mass395.36
IUPAC Name4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine
SMILESCC(CCC(CCC(C)N1CCOCC1)N1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C22H45N5O/c1-20(25-10-8-23-9-11-25)4-6-22(27-14-12-24(3)13-15-27)7-5-21(2)26-16-18-28-19-17-26/h20-23H,4-19H2,1-3H3
InChIKeyFEIKMMWXQQDFDF-UHFFFAOYSA-N
XLogP1.18
TPSA34.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine?
The IUPAC name of 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine (CID 134308957) is 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine is CC(CCC(CCC(C)N1CCOCC1)N1CCN(C)CC1)N1CCNCC1.
What is the InChIKey of 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine?
The InChIKey is FEIKMMWXQQDFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N5O/c1-20(25-10-8-23-9-11-25)4-6-22(27-14-12-24(3)13-15-27)7-5-21(2)26-16-18-28-19-17-26/h20-23H,4-19H2,1-3H3.
What are the key properties of 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine?
4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine has a molecular weight of 395.64 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylpiperazin-1-yl)-8-piperazin-1-ylnonan-2-yl]morpholine is sourced from PubChem (CID 134308957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).