1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid

C22H34N2O6 — CID 17366738

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
SMILESCOc1cccc(CN2CCN(C3CCCC(C)C3)CC2)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C20H32N2O2.C2H2O4/c1-16-6-4-8-18(14-16)22-12-10-21(11-13-22)15-17-7-5-9-19(23-2)20(17)24-3;3-1(4)2(5)6/h5,7,9,16,18H,4,6,8,10-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyHFBRAFAPGCTPMB-UHFFFAOYSA-N
MW422.52 g/mol
LogP2.56
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid

1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid (PubChem CID 17366738) has the molecular formula C22H34N2O6 and a molecular weight of 422.52 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
PubChem CID17366738
Molecular FormulaC22H34N2O6
Molecular Weight422.52 g/mol
Exact Mass422.24
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
SMILESCOc1cccc(CN2CCN(C3CCCC(C)C3)CC2)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C20H32N2O2.C2H2O4/c1-16-6-4-8-18(14-16)22-12-10-21(11-13-22)15-17-7-5-9-19(23-2)20(17)24-3;3-1(4)2(5)6/h5,7,9,16,18H,4,6,8,10-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyHFBRAFAPGCTPMB-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-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
CID 90483361
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
CID 2910657
1-[(1R,3R)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148348
1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 2879992
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
1-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 90483881
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367093
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
1-[(1S,3R)-3-methylcyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1131768
(2,6-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone
CID 3150586
1-benzhydryl-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328266

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid (CID 17366738) is 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid is COc1cccc(CN2CCN(C3CCCC(C)C3)CC2)c1OC.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid?
The InChIKey is HFBRAFAPGCTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.C2H2O4/c1-16-6-4-8-18(14-16)22-12-10-21(11-13-22)15-17-7-5-9-19(23-2)20(17)24-3;3-1(4)2(5)6/h5,7,9,16,18H,4,6,8,10-15H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid?
1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;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-(3-methylcyclohexyl)piperazine;oxalic acid is sourced from PubChem (CID 17366738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).