2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine

C17H28N2O — CID 61218423

IUPAC2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine
SMILESCCOC1CCN(C(CN)C(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-20-16-9-11-19(12-10-16)17(13-18)14(2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13,18H2,1-2H3
InChIKeyAENVVNDRRCJLLI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.62
Rot. Bonds6

About 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine

2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine (PubChem CID 61218423) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine
PubChem CID61218423
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine
SMILESCCOC1CCN(C(CN)C(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-20-16-9-11-19(12-10-16)17(13-18)14(2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13,18H2,1-2H3
InChIKeyAENVVNDRRCJLLI-UHFFFAOYSA-N
XLogP2.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61421182
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 61222019
2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 62937911
2-(4-ethoxypiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 61218981
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61099951
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62427479
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
CID 104958196
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958540

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine (CID 61218423) is 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine is CCOC1CCN(C(CN)C(C)c2ccccc2)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine?
The InChIKey is AENVVNDRRCJLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-20-16-9-11-19(12-10-16)17(13-18)14(2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13,18H2,1-2H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine?
2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine is sourced from PubChem (CID 61218423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).