3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine

C13H26N2O2 — CID 114119831

IUPAC3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCOC2CCNCC2)C1
InChIInChI=1S/C13H26N2O2/c1-2-16-13-9-11(10-13)15-7-8-17-12-3-5-14-6-4-12/h11-15H,2-10H2,1H3
InChIKeyDQPGOBOQISBXTB-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.91
Rot. Bonds7

About 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine

3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine (PubChem CID 114119831) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine
PubChem CID114119831
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCOC2CCNCC2)C1
InChIInChI=1S/C13H26N2O2/c1-2-16-13-9-11(10-13)15-7-8-17-12-3-5-14-6-4-12/h11-15H,2-10H2,1H3
InChIKeyDQPGOBOQISBXTB-UHFFFAOYSA-N
XLogP0.91
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.91
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 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine (CID 114119831) is 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine is CCOC1CC(NCCOC2CCNCC2)C1.
What is the InChIKey of 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine?
The InChIKey is DQPGOBOQISBXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-16-13-9-11(10-13)15-7-8-17-12-3-5-14-6-4-12/h11-15H,2-10H2,1H3.
What are the key properties of 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine?
3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 114119831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).