N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine

C18H30N2O — CID 62427479

IUPACN-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)N1CCC(OCC)CC1
InChIInChI=1S/C18H30N2O/c1-3-12-19-15-18(16-8-6-5-7-9-16)20-13-10-17(11-14-20)21-4-2/h5-9,17-19H,3-4,10-15H2,1-2H3
InChIKeyLUXDFSYXDAZUME-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds8

About N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine

N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine (PubChem CID 62427479) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine
PubChem CID62427479
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)N1CCC(OCC)CC1
InChIInChI=1S/C18H30N2O/c1-3-12-19-15-18(16-8-6-5-7-9-16)20-13-10-17(11-14-20)21-4-2/h5-9,17-19H,3-4,10-15H2,1-2H3
InChIKeyLUXDFSYXDAZUME-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62930999
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine
CID 61218423
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine
CID 114413386
2-(4-ethoxypiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 61218981
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
CID 103465126
N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958951
2-methyl-N-[2-(3-methylpyrrolidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62428755
N-phenyl-1-(1-phenylbutyl)piperidin-4-amine
CID 70111366

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine (CID 62427479) is N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine is CCCNCC(c1ccccc1)N1CCC(OCC)CC1.
What is the InChIKey of N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine?
The InChIKey is LUXDFSYXDAZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-12-19-15-18(16-8-6-5-7-9-16)20-13-10-17(11-14-20)21-4-2/h5-9,17-19H,3-4,10-15H2,1-2H3.
What are the key properties of N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine?
N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 62427479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).