4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid

C22H27NO5 — CID 2923141

IUPAC4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CC2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO.C2H2O4/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20;3-1(4)2(5)6/h1-10,19H,11-17H2;(H,3,4)(H,5,6)
InChIKeyJBQLZLFPXBXLFP-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.18
Rot. Bonds6

About 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid

4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid (PubChem CID 2923141) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid.

Molecular Properties

Compound Name4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
PubChem CID2923141
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CC2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO.C2H2O4/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20;3-1(4)2(5)6/h1-10,19H,11-17H2;(H,3,4)(H,5,6)
InChIKeyJBQLZLFPXBXLFP-UHFFFAOYSA-N
XLogP3.18
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 15952046
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
CID 86278511
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
1-[4-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methoxyphenyl]ethanone;oxalic acid
CID 2977850
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
[4-[2-[4-[(4-benzylpiperidin-1-yl)methyl]phenoxy]ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 45224100
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid?
The IUPAC name of 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid (CID 2923141) is 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid.
What is the SMILES notation for 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid?
The canonical SMILES for 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid is O=C(O)C(=O)O.c1ccc(CC2CCN(CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid?
The InChIKey is JBQLZLFPXBXLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.C2H2O4/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20;3-1(4)2(5)6/h1-10,19H,11-17H2;(H,3,4)(H,5,6).
What are the key properties of 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid?
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid has a molecular weight of 385.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid is sourced from PubChem (CID 2923141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).