1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid

C19H24N2O5 — CID 126476688

IUPAC1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
SMILESCc1ccccc1CN1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O.C2H2O4/c1-15-5-2-3-6-16(15)13-18-8-10-19(11-9-18)14-17-7-4-12-20-17;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyOXCHORMYUKTBBT-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.06
Rot. Bonds4

About 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid

1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid (PubChem CID 126476688) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
PubChem CID126476688
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
SMILESCc1ccccc1CN1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O.C2H2O4/c1-15-5-2-3-6-16(15)13-18-8-10-19(11-9-18)14-17-7-4-12-20-17;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyOXCHORMYUKTBBT-UHFFFAOYSA-N
XLogP2.06
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.06
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

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 46538728
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596472
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483280
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]butanoic acid
CID 98020260
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid (CID 126476688) is 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid is Cc1ccccc1CN1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The InChIKey is OXCHORMYUKTBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.C2H2O4/c1-15-5-2-3-6-16(15)13-18-8-10-19(11-9-18)14-17-7-4-12-20-17;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid has a molecular weight of 360.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 126476688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).