N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline

C25H36N2O — CID 166629061

IUPACN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline
SMILESCCOCCN(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H36N2O/c1-3-28-19-18-27(25-12-8-5-9-13-25)21-22(2)26-16-14-24(15-17-26)20-23-10-6-4-7-11-23/h4-13,22,24H,3,14-21H2,1-2H3
InChIKeyZYXAAXBATAHUSA-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.87
Rot. Bonds10

About N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline (PubChem CID 166629061) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline
PubChem CID166629061
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline
SMILESCCOCCN(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H36N2O/c1-3-28-19-18-27(25-12-8-5-9-13-25)21-22(2)26-16-14-24(15-17-26)20-23-10-6-4-7-11-23/h4-13,22,24H,3,14-21H2,1-2H3
InChIKeyZYXAAXBATAHUSA-UHFFFAOYSA-N
XLogP4.87
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
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 N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline (CID 166629061) is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline is CCOCCN(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline?
The InChIKey is ZYXAAXBATAHUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-3-28-19-18-27(25-12-8-5-9-13-25)21-22(2)26-16-14-24(15-17-26)20-23-10-6-4-7-11-23/h4-13,22,24H,3,14-21H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline?
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline has a molecular weight of 380.58 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline is sourced from PubChem (CID 166629061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).