N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine

C16H34N4O — CID 123457788

IUPACN'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine
SMILESC1CCN(CCCNCCNCCN2CCOCC2)CC1
InChIInChI=1S/C16H34N4O/c1-2-9-19(10-3-1)11-4-5-17-6-7-18-8-12-20-13-15-21-16-14-20/h17-18H,1-16H2
InChIKeyWJMFZDYDQZQVSV-UHFFFAOYSA-N
MW298.48 g/mol
LogP0.37
Rot. Bonds10

About N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine

N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine (PubChem CID 123457788) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine
PubChem CID123457788
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC NameN'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine
SMILESC1CCN(CCCNCCNCCN2CCOCC2)CC1
InChIInChI=1S/C16H34N4O/c1-2-9-19(10-3-1)11-4-5-17-6-7-18-8-12-20-13-15-21-16-14-20/h17-18H,1-16H2
InChIKeyWJMFZDYDQZQVSV-UHFFFAOYSA-N
XLogP0.37
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine (CID 123457788) is N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine is C1CCN(CCCNCCNCCN2CCOCC2)CC1.
What is the InChIKey of N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine?
The InChIKey is WJMFZDYDQZQVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-2-9-19(10-3-1)11-4-5-17-6-7-18-8-12-20-13-15-21-16-14-20/h17-18H,1-16H2.
What are the key properties of N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine?
N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine has a molecular weight of 298.48 g/mol, XLogP of 0.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 123457788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).