4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine

C15H32N2O2 — CID 62560342

IUPAC4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCN1CCC(OCC)CC1
InChIInChI=1S/C15H32N2O2/c1-3-18-14-6-5-9-16-10-13-17-11-7-15(8-12-17)19-4-2/h15-16H,3-14H2,1-2H3
InChIKeyIUUFCWNIGJCFJT-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.89
Rot. Bonds11

About 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine

4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine (PubChem CID 62560342) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
PubChem CID62560342
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCN1CCC(OCC)CC1
InChIInChI=1S/C15H32N2O2/c1-3-18-14-6-5-9-16-10-13-17-11-7-15(8-12-17)19-4-2/h15-16H,3-14H2,1-2H3
InChIKeyIUUFCWNIGJCFJT-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.89
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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Related Compounds

4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62554227
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 63167841
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
4-ethoxy-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62560108
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 55158969
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine (CID 62560342) is 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine is CCOCCCCNCCN1CCC(OCC)CC1.
What is the InChIKey of 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine?
The InChIKey is IUUFCWNIGJCFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-3-18-14-6-5-9-16-10-13-17-11-7-15(8-12-17)19-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine?
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62560342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).