N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid

C23H30N2O5 — CID 2910855

IUPACN-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
SMILESCOc1ccc(CN2CCC(N(C)Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O.C2H2O4/c1-22(16-18-6-4-3-5-7-18)20-12-14-23(15-13-20)17-19-8-10-21(24-2)11-9-19;3-1(4)2(5)6/h3-11,20H,12-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOPQGSWXLWAKMSD-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.95
Rot. Bonds6

About N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid

N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid (PubChem CID 2910855) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
PubChem CID2910855
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC NameN-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
SMILESCOc1ccc(CN2CCC(N(C)Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O.C2H2O4/c1-22(16-18-6-4-3-5-7-18)20-12-14-23(15-13-20)17-19-8-10-21(24-2)11-9-19;3-1(4)2(5)6/h3-11,20H,12-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOPQGSWXLWAKMSD-UHFFFAOYSA-N
XLogP2.95
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 10205113
N-(1-benzylpiperidin-4-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanethioamide
CID 22643457
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]benzoic acid
CID 122035291
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid?
The IUPAC name of N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid (CID 2910855) is N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid.
What is the SMILES notation for N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid?
The canonical SMILES for N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid is COc1ccc(CN2CCC(N(C)Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid?
The InChIKey is OPQGSWXLWAKMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.C2H2O4/c1-22(16-18-6-4-3-5-7-18)20-12-14-23(15-13-20)17-19-8-10-21(24-2)11-9-19;3-1(4)2(5)6/h3-11,20H,12-17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid?
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid has a molecular weight of 414.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid is sourced from PubChem (CID 2910855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).