2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine

C12H25N3O — CID 79018781

IUPAC2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine
SMILESC1CC(CNCCN2CCOCC2)CCN1
InChIInChI=1S/C12H25N3O/c1-3-13-4-2-12(1)11-14-5-6-15-7-9-16-10-8-15/h12-14H,1-11H2
InChIKeyDPYMAZVIVUWAHA-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.09
Rot. Bonds5

About 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine

2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79018781) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79018781
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine
SMILESC1CC(CNCCN2CCOCC2)CCN1
InChIInChI=1S/C12H25N3O/c1-3-13-4-2-12(1)11-14-5-6-15-7-9-16-10-8-15/h12-14H,1-11H2
InChIKeyDPYMAZVIVUWAHA-UHFFFAOYSA-N
XLogP-0.09
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
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 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine (CID 79018781) is 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine is C1CC(CNCCN2CCOCC2)CCN1.
What is the InChIKey of 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is DPYMAZVIVUWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-13-4-2-12(1)11-14-5-6-15-7-9-16-10-8-15/h12-14H,1-11H2.
What are the key properties of 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine?
2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79018781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).