[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone

C16H24N2O2 — CID 62594027

IUPAC[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cccc(CCN)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-15-7-10-18(11-8-15)16(19)14-5-3-4-13(12-14)6-9-17/h3-5,12,15H,2,6-11,17H2,1H3
InChIKeyJSMUELPZPAOIEQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.83
Rot. Bonds5

About [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone

[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 62594027) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
PubChem CID62594027
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cccc(CCN)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-15-7-10-18(11-8-15)16(19)14-5-3-4-13(12-14)6-9-17/h3-5,12,15H,2,6-11,17H2,1H3
InChIKeyJSMUELPZPAOIEQ-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
CID 62593665
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
[3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 119073175
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 119664072
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone (CID 62594027) is [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2cccc(CCN)c2)CC1.
What is the InChIKey of [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is JSMUELPZPAOIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-15-7-10-18(11-8-15)16(19)14-5-3-4-13(12-14)6-9-17/h3-5,12,15H,2,6-11,17H2,1H3.
What are the key properties of [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone?
[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62594027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).