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

C21H32N2O4 — CID 2879992

IUPAC1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
SMILESCc1ccccc1CN1CCN(C2CCCC(C)C2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2.C2H2O4/c1-16-6-5-9-19(14-16)21-12-10-20(11-13-21)15-18-8-4-3-7-17(18)2;3-1(4)2(5)6/h3-4,7-8,16,19H,5-6,9-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUKZZGSKQLYRANO-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.85
Rot. Bonds3

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

1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid (PubChem CID 2879992) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
PubChem CID2879992
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
SMILESCc1ccccc1CN1CCN(C2CCCC(C)C2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2.C2H2O4/c1-16-6-5-9-19(14-16)21-12-10-20(11-13-21)15-18-8-4-3-7-17(18)2;3-1(4)2(5)6/h3-4,7-8,16,19H,5-6,9-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUKZZGSKQLYRANO-UHFFFAOYSA-N
XLogP2.85
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methylcyclohexyl)piperazine;oxalic acid
CID 17366738
1-[(2-bromophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1360754
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366301
1-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 90483881
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831
1-[(2-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 2880126
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
CID 787081
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid (CID 2879992) is 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid is Cc1ccccc1CN1CCN(C2CCCC(C)C2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The InChIKey is UKZZGSKQLYRANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2.C2H2O4/c1-16-6-5-9-19(14-16)21-12-10-20(11-13-21)15-18-8-4-3-7-17(18)2;3-1(4)2(5)6/h3-4,7-8,16,19H,5-6,9-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid has a molecular weight of 376.50 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 2879992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).