4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride

C22H29ClFNO — CID 45262139

IUPAC4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(COCC2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28FNO.ClH/c23-22-10-8-20(9-11-22)17-25-18-21-12-15-24(16-13-21)14-4-7-19-5-2-1-3-6-19;/h1-3,5-6,8-11,21H,4,7,12-18H2;1H
InChIKeyVRNPVCKMJKGWLI-UHFFFAOYSA-N
MW377.93 g/mol
LogP5.11
Rot. Bonds8

About 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride

4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride (PubChem CID 45262139) has the molecular formula C22H29ClFNO and a molecular weight of 377.93 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride
PubChem CID45262139
Molecular FormulaC22H29ClFNO
Molecular Weight377.93 g/mol
Exact Mass377.19
IUPAC Name4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(COCC2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28FNO.ClH/c23-22-10-8-20(9-11-22)17-25-18-21-12-15-24(16-13-21)14-4-7-19-5-2-1-3-6-19;/h1-3,5-6,8-11,21H,4,7,12-18H2;1H
InChIKeyVRNPVCKMJKGWLI-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.93
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)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 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride (CID 45262139) is 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride is Cl.Fc1ccc(COCC2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride?
The InChIKey is VRNPVCKMJKGWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO.ClH/c23-22-10-8-20(9-11-22)17-25-18-21-12-15-24(16-13-21)14-4-7-19-5-2-1-3-6-19;/h1-3,5-6,8-11,21H,4,7,12-18H2;1H.
What are the key properties of 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride?
4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride has a molecular weight of 377.93 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride is sourced from PubChem (CID 45262139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).