1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine

C16H26N2O — CID 14416739

IUPAC1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine
SMILESCCOCCN1CCC(Nc2ccccc2)C(C)C1
InChIInChI=1S/C16H26N2O/c1-3-19-12-11-18-10-9-16(14(2)13-18)17-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyCVNGXFOFWQMPSF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds6

About 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine

1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine (PubChem CID 14416739) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine
PubChem CID14416739
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine
SMILESCCOCCN1CCC(Nc2ccccc2)C(C)C1
InChIInChI=1S/C16H26N2O/c1-3-19-12-11-18-10-9-16(14(2)13-18)17-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyCVNGXFOFWQMPSF-UHFFFAOYSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine?
The IUPAC name of 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine (CID 14416739) is 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine is CCOCCN1CCC(Nc2ccccc2)C(C)C1.
What is the InChIKey of 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine?
The InChIKey is CVNGXFOFWQMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-12-11-18-10-9-16(14(2)13-18)17-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine?
1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-methyl-N-phenylpiperidin-4-amine is sourced from PubChem (CID 14416739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).