4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid

C21H25NO4 — CID 90674648

IUPAC4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid
SMILESCN1CCC(c2ccc(Cc3ccccc3)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H23N.C2H2O4/c1-20-13-11-19(12-14-20)18-9-7-17(8-10-18)15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-10,19H,11-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyWRXIFZLWFDSEJU-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.24
Rot. Bonds3

About 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid

4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid (PubChem CID 90674648) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid.

Molecular Properties

Compound Name4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid
PubChem CID90674648
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid
SMILESCN1CCC(c2ccc(Cc3ccccc3)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H23N.C2H2O4/c1-20-13-11-19(12-14-20)18-9-7-17(8-10-18)15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-10,19H,11-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyWRXIFZLWFDSEJU-UHFFFAOYSA-N
XLogP3.24
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 133875
4-Ppbp maleate
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1-Benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
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1-(4-Methyl-benzyl)-4-(2-trifluoromethyl-benzyl)-piperazine
CID 11948905
1-[(2-Fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 16195106
Mcn 4308
CID 196442
Oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine
CID 2911895
(4-Methyl-piperidin-1-yl)-[1-(2-phenyl-propyl)-piperidin-4-yl]-methanone
CID 9549557
oxalic acid;(E)-N-piperidin-1-yl-1-(4-propan-2-ylphenyl)methanimine
CID 16240810
oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine
CID 23724167
N-methyl-4-phenyl-N-prop-2-ynylpent-4-en-1-amine;oxalic acid
CID 145948523
4-benzyl-1-[[(2S,4S)-2-methyl-2-phenyl-1,3-dithiolan-4-yl]methyl]piperidine;oxalic acid
CID 156013628

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid?
The IUPAC name of 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid (CID 90674648) is 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid.
What is the SMILES notation for 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid?
The canonical SMILES for 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid is CN1CCC(c2ccc(Cc3ccccc3)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid?
The InChIKey is WRXIFZLWFDSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N.C2H2O4/c1-20-13-11-19(12-14-20)18-9-7-17(8-10-18)15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-10,19H,11-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid?
4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid has a molecular weight of 355.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenyl)-1-methylpiperidine;oxalic acid is sourced from PubChem (CID 90674648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).