N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine

C24H42N2O — CID 46890026

IUPACN-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(OCCCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C24H42N2O/c1-3-25(4-2)22-23-14-16-24(17-15-23)27-21-13-8-6-5-7-10-18-26-19-11-9-12-20-26/h14-17H,3-13,18-22H2,1-2H3
InChIKeyQJYZZKHUOILRJJ-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.73
Rot. Bonds14

About N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine

N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine (PubChem CID 46890026) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine
PubChem CID46890026
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC NameN-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(OCCCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C24H42N2O/c1-3-25(4-2)22-23-14-16-24(17-15-23)27-21-13-8-6-5-7-10-18-26-19-11-9-12-20-26/h14-17H,3-13,18-22H2,1-2H3
InChIKeyQJYZZKHUOILRJJ-UHFFFAOYSA-N
XLogP5.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine (CID 46890026) is N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(OCCCCCCCCN2CCCCC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine?
The InChIKey is QJYZZKHUOILRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O/c1-3-25(4-2)22-23-14-16-24(17-15-23)27-21-13-8-6-5-7-10-18-26-19-11-9-12-20-26/h14-17H,3-13,18-22H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine?
N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine has a molecular weight of 374.61 g/mol, XLogP of 5.73, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(8-piperidin-1-yloctoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 46890026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).