1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid

C22H34N2O6 — CID 2910657

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
SMILESCOc1cccc(CN2CCC(N3CCC(C)CC3)CC2)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C20H32N2O2.C2H2O4/c1-16-7-13-22(14-8-16)18-9-11-21(12-10-18)15-17-5-4-6-19(23-2)20(17)24-3;3-1(4)2(5)6/h4-6,16,18H,7-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyNQKHUUHTROUDQG-UHFFFAOYSA-N
MW422.52 g/mol
LogP2.56
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid

1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid (PubChem CID 2910657) has the molecular formula C22H34N2O6 and a molecular weight of 422.52 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
PubChem CID2910657
Molecular FormulaC22H34N2O6
Molecular Weight422.52 g/mol
Exact Mass422.24
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
SMILESCOc1cccc(CN2CCC(N3CCC(C)CC3)CC2)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C20H32N2O2.C2H2O4/c1-16-7-13-22(14-8-16)18-9-11-21(12-10-18)15-17-5-4-6-19(23-2)20(17)24-3;3-1(4)2(5)6/h4-6,16,18H,7-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyNQKHUUHTROUDQG-UHFFFAOYSA-N
XLogP2.56
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 17366738
4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
CID 2911508
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-ethylpiperidin-4-amine;oxalic acid
CID 17369350
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367093
[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 123132440
1-benzhydryl-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328266
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid (CID 2910657) is 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid is COc1cccc(CN2CCC(N3CCC(C)CC3)CC2)c1OC.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid?
The InChIKey is NQKHUUHTROUDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.C2H2O4/c1-16-7-13-22(14-8-16)18-9-11-21(12-10-18)15-17-5-4-6-19(23-2)20(17)24-3;3-1(4)2(5)6/h4-6,16,18H,7-15H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid?
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid has a molecular weight of 422.52 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid is sourced from PubChem (CID 2910657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).