4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid

C23H29NO4 — CID 163328080

IUPAC4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
SMILESCCc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H27N.C2H2O4/c1-2-18-8-10-21(11-9-18)17-22-14-12-20(13-15-22)16-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyLEWGAOWXQOTTTH-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.86
Rot. Bonds5

About 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid

4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid (PubChem CID 163328080) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid.

Molecular Properties

Compound Name4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
PubChem CID163328080
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
SMILESCCc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H27N.C2H2O4/c1-2-18-8-10-21(11-9-18)17-22-14-12-20(13-15-22)16-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyLEWGAOWXQOTTTH-UHFFFAOYSA-N
XLogP3.86
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid with MolForge

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

Launch Full Analysis

Related Compounds

(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46043505
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
4-[(1-benzylpiperidin-4-yl)methyl]-N,N-dimethylaniline;(E)-but-2-enedioic acid
CID 19390935
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2900486

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid?
The IUPAC name of 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid (CID 163328080) is 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid.
What is the SMILES notation for 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid?
The canonical SMILES for 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid is CCc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid?
The InChIKey is LEWGAOWXQOTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N.C2H2O4/c1-2-18-8-10-21(11-9-18)17-22-14-12-20(13-15-22)16-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid?
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid has a molecular weight of 383.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid is sourced from PubChem (CID 163328080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).