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

C17H28N2O — CID 63322069

IUPAC4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
SMILESCCOC1CCCN(CCCC(N)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-2-20-16-10-6-12-19(14-16)13-7-11-17(18)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14,18H2,1H3
InChIKeyUZGCLURKOYHCGG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.97
Rot. Bonds7

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

4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine (PubChem CID 63322069) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
PubChem CID63322069
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
SMILESCCOC1CCCN(CCCC(N)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-2-20-16-10-6-12-19(14-16)13-7-11-17(18)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14,18H2,1H3
InChIKeyUZGCLURKOYHCGG-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxypiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520369
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CID 63321943
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291229
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
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3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
CID 54985182
3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 62780124
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
CID 67518430
5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
CID 54985085
1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62617221
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
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N-[3-(3-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 55071185

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine (CID 63322069) is 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine is CCOC1CCCN(CCCC(N)c2ccccc2)C1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine?
The InChIKey is UZGCLURKOYHCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-20-16-10-6-12-19(14-16)13-7-11-17(18)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14,18H2,1H3.
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine?
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine is sourced from PubChem (CID 63322069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).