1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid

C21H32N2O7 — CID 17366796

IUPAC1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
SMILESCOc1ccc(CN2CCN(C3CCCC3)CC2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O3.C2H2O4/c1-22-17-9-8-15(18(23-2)19(17)24-3)14-20-10-12-21(13-11-20)16-6-4-5-7-16;3-1(4)2(5)6/h8-9,16H,4-7,10-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyFXSQVDAUJNWULS-UHFFFAOYSA-N
MW424.49 g/mol
LogP1.93
Rot. Bonds6

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

1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid (PubChem CID 17366796) has the molecular formula C21H32N2O7 and a molecular weight of 424.49 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
PubChem CID17366796
Molecular FormulaC21H32N2O7
Molecular Weight424.49 g/mol
Exact Mass424.22
IUPAC Name1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
SMILESCOc1ccc(CN2CCN(C3CCCC3)CC2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O3.C2H2O4/c1-22-17-9-8-15(18(23-2)19(17)24-3)14-20-10-12-21(13-11-20)16-6-4-5-7-16;3-1(4)2(5)6/h8-9,16H,4-7,10-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyFXSQVDAUJNWULS-UHFFFAOYSA-N
XLogP1.93
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148357
1-[(1R,3R)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148348
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 17366738
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148341
oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 126469036
1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 162432629
[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
CID 45246759
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
CID 2910657
[(2R)-pyrrolidin-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 57148141
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid (CID 17366796) is 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid is COc1ccc(CN2CCN(C3CCCC3)CC2)c(OC)c1OC.O=C(O)C(=O)O.
What is the InChIKey of 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid?
The InChIKey is FXSQVDAUJNWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.C2H2O4/c1-22-17-9-8-15(18(23-2)19(17)24-3)14-20-10-12-21(13-11-20)16-6-4-5-7-16;3-1(4)2(5)6/h8-9,16H,4-7,10-14H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid?
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid has a molecular weight of 424.49 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 17366796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).