4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine

C17H35N3O — CID 63167841

IUPAC4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H35N3O/c1-2-21-15-7-4-9-18-10-14-19-13-8-17(16-19)20-11-5-3-6-12-20/h17-18H,2-16H2,1H3
InChIKeyVZRAPHWUWXZPGJ-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.95
Rot. Bonds10

About 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine

4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine (PubChem CID 63167841) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
PubChem CID63167841
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H35N3O/c1-2-21-15-7-4-9-18-10-14-19-13-8-17(16-19)20-11-5-3-6-12-20/h17-18H,2-16H2,1H3
InChIKeyVZRAPHWUWXZPGJ-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.95
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

3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 55158969
3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 63167922
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 55158579
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 79936511
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
4-ethoxy-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62560108
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62554227

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine (CID 63167841) is 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine is CCOCCCCNCCN1CCC(N2CCCCC2)C1.
What is the InChIKey of 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine?
The InChIKey is VZRAPHWUWXZPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-2-21-15-7-4-9-18-10-14-19-13-8-17(16-19)20-11-5-3-6-12-20/h17-18H,2-16H2,1H3.
What are the key properties of 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine?
4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 63167841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).