1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine

C21H44N6O2 — CID 57122865

IUPAC1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine
SMILESNCCC(NCC(NCCCN1CCCCC1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H44N6O2/c22-6-5-20(26-11-15-28-16-12-26)24-19-21(27-13-17-29-18-14-27)23-7-4-10-25-8-2-1-3-9-25/h20-21,23-24H,1-19,22H2
InChIKeyQQIDBJMEOIWSGM-UHFFFAOYSA-N
MW412.62 g/mol
LogP-0.29
Rot. Bonds12

About 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine

1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine (PubChem CID 57122865) has the molecular formula C21H44N6O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine
PubChem CID57122865
Molecular FormulaC21H44N6O2
Molecular Weight412.62 g/mol
Exact Mass412.35
IUPAC Name1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine
SMILESNCCC(NCC(NCCCN1CCCCC1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H44N6O2/c22-6-5-20(26-11-15-28-16-12-26)24-19-21(27-13-17-29-18-14-27)23-7-4-10-25-8-2-1-3-9-25/h20-21,23-24H,1-19,22H2
InChIKeyQQIDBJMEOIWSGM-UHFFFAOYSA-N
XLogP-0.29
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine?
The IUPAC name of 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine (CID 57122865) is 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine is NCCC(NCC(NCCCN1CCCCC1)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine?
The InChIKey is QQIDBJMEOIWSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N6O2/c22-6-5-20(26-11-15-28-16-12-26)24-19-21(27-13-17-29-18-14-27)23-7-4-10-25-8-2-1-3-9-25/h20-21,23-24H,1-19,22H2.
What are the key properties of 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine?
1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine has a molecular weight of 412.62 g/mol, XLogP of -0.29, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 57122865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).