1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine

C24H29NO — CID 15229597

IUPAC1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine
SMILESC(#Cc1ccccc1)COCCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H29NO/c1-3-8-22(9-4-1)12-7-20-26-21-16-24-14-18-25(19-15-24)17-13-23-10-5-2-6-11-23/h1-6,8-11,24H,13-21H2
InChIKeyZZHBWXMHPRGVFQ-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.40
Rot. Bonds7

About 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine

1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine (PubChem CID 15229597) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine
PubChem CID15229597
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine
SMILESC(#Cc1ccccc1)COCCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H29NO/c1-3-8-22(9-4-1)12-7-20-26-21-16-24-14-18-25(19-15-24)17-13-23-10-5-2-6-11-23/h1-6,8-11,24H,13-21H2
InChIKeyZZHBWXMHPRGVFQ-UHFFFAOYSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine 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 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine?
The IUPAC name of 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine (CID 15229597) is 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine.
What is the SMILES notation for 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine?
The canonical SMILES for 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine is C(#Cc1ccccc1)COCCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine?
The InChIKey is ZZHBWXMHPRGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-3-8-22(9-4-1)12-7-20-26-21-16-24-14-18-25(19-15-24)17-13-23-10-5-2-6-11-23/h1-6,8-11,24H,13-21H2.
What are the key properties of 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine?
1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine has a molecular weight of 347.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-[2-(3-phenylprop-2-ynoxy)ethyl]piperidine is sourced from PubChem (CID 15229597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).