2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine

C21H42N4O — CID 146513113

IUPAC2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine
SMILESCC(C)CN1CCC(N2CCOC(CC(C)CN3CCNCC3)C2)CC1
InChIInChI=1S/C21H42N4O/c1-18(2)15-23-8-4-20(5-9-23)25-12-13-26-21(17-25)14-19(3)16-24-10-6-22-7-11-24/h18-22H,4-17H2,1-3H3
InChIKeyGXVSAVIQVPROKL-UHFFFAOYSA-N
MW366.59 g/mol
LogP1.74
Rot. Bonds7

About 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine

2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine (PubChem CID 146513113) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine
PubChem CID146513113
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Name2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine
SMILESCC(C)CN1CCC(N2CCOC(CC(C)CN3CCNCC3)C2)CC1
InChIInChI=1S/C21H42N4O/c1-18(2)15-23-8-4-20(5-9-23)25-12-13-26-21(17-25)14-19(3)16-24-10-6-22-7-11-24/h18-22H,4-17H2,1-3H3
InChIKeyGXVSAVIQVPROKL-UHFFFAOYSA-N
XLogP1.74
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine?
The IUPAC name of 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine (CID 146513113) is 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine?
The canonical SMILES for 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine is CC(C)CN1CCC(N2CCOC(CC(C)CN3CCNCC3)C2)CC1.
What is the InChIKey of 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine?
The InChIKey is GXVSAVIQVPROKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O/c1-18(2)15-23-8-4-20(5-9-23)25-12-13-26-21(17-25)14-19(3)16-24-10-6-22-7-11-24/h18-22H,4-17H2,1-3H3.
What are the key properties of 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine?
2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine has a molecular weight of 366.59 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-piperazin-1-ylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 146513113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).