1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine

C13H27N3O — CID 4712096

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
SMILESCN1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-7-3-13(4-8-15)14-5-2-6-16-9-11-17-12-10-16/h13-14H,2-12H2,1H3
InChIKeySPBUAXFQMXMLED-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds5

About 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine

1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine (PubChem CID 4712096) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
PubChem CID4712096
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
SMILESCN1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-7-3-13(4-8-15)14-5-2-6-16-9-11-17-12-10-16/h13-14H,2-12H2,1H3
InChIKeySPBUAXFQMXMLED-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine (CID 4712096) is 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine is CN1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The InChIKey is SPBUAXFQMXMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-7-3-13(4-8-15)14-5-2-6-16-9-11-17-12-10-16/h13-14H,2-12H2,1H3.
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-morpholin-4-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 4712096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).