1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride

C23H32ClNO — CID 117067777

IUPAC1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
SMILESCl.c1ccc(CCCCC2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31NO.ClH/c1-3-9-21(10-4-1)11-7-8-12-22-15-17-24(18-16-22)19-20-25-23-13-5-2-6-14-23;/h1-6,9-10,13-14,22H,7-8,11-12,15-20H2;1H
InChIKeyOQYOPAAEHYAAIU-UHFFFAOYSA-N
MW373.97 g/mol
LogP5.61
Rot. Bonds9

About 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride

1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride (PubChem CID 117067777) has the molecular formula C23H32ClNO and a molecular weight of 373.97 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
PubChem CID117067777
Molecular FormulaC23H32ClNO
Molecular Weight373.97 g/mol
Exact Mass373.22
IUPAC Name1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
SMILESCl.c1ccc(CCCCC2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31NO.ClH/c1-3-9-21(10-4-1)11-7-8-12-22-15-17-24(18-16-22)19-20-25-23-13-5-2-6-14-23;/h1-6,9-10,13-14,22H,7-8,11-12,15-20H2;1H
InChIKeyOQYOPAAEHYAAIU-UHFFFAOYSA-N
XLogP5.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride 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-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride?
The IUPAC name of 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride (CID 117067777) is 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride?
The canonical SMILES for 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride is Cl.c1ccc(CCCCC2CCN(CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride?
The InChIKey is OQYOPAAEHYAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO.ClH/c1-3-9-21(10-4-1)11-7-8-12-22-15-17-24(18-16-22)19-20-25-23-13-5-2-6-14-23;/h1-6,9-10,13-14,22H,7-8,11-12,15-20H2;1H.
What are the key properties of 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride?
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride is sourced from PubChem (CID 117067777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).