4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine

C18H36N6O — CID 154365071

IUPAC4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine
SMILESCN1CCNC(N2CCOCC2)C1(N1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H36N6O/c1-21-10-7-20-17(22-13-15-25-16-14-22)18(21,23-8-3-2-4-9-23)24-11-5-19-6-12-24/h17,19-20H,2-16H2,1H3
InChIKeyKBYATGQBFYLFFA-UHFFFAOYSA-N
MW352.53 g/mol
LogP-0.78
Rot. Bonds3

About 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine

4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine (PubChem CID 154365071) has the molecular formula C18H36N6O and a molecular weight of 352.53 g/mol. Its IUPAC name is 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine
PubChem CID154365071
Molecular FormulaC18H36N6O
Molecular Weight352.53 g/mol
Exact Mass352.30
IUPAC Name4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine
SMILESCN1CCNC(N2CCOCC2)C1(N1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H36N6O/c1-21-10-7-20-17(22-13-15-25-16-14-22)18(21,23-8-3-2-4-9-23)24-11-5-19-6-12-24/h17,19-20H,2-16H2,1H3
InChIKeyKBYATGQBFYLFFA-UHFFFAOYSA-N
XLogP-0.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine?
The IUPAC name of 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine (CID 154365071) is 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine?
The canonical SMILES for 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine is CN1CCNC(N2CCOCC2)C1(N1CCCCC1)N1CCNCC1.
What is the InChIKey of 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine?
The InChIKey is KBYATGQBFYLFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O/c1-21-10-7-20-17(22-13-15-25-16-14-22)18(21,23-8-3-2-4-9-23)24-11-5-19-6-12-24/h17,19-20H,2-16H2,1H3.
What are the key properties of 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine?
4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine has a molecular weight of 352.53 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-piperazin-1-yl-3-piperidin-1-ylpiperazin-2-yl)morpholine is sourced from PubChem (CID 154365071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).