1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid

C17H26N2O4 — CID 2879903

IUPAC1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
SMILESCc1ccc(CN2CCN(C(C)C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2.C2H2O4/c1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;3-1(4)2(5)6/h4-7,13H,8-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyGQRQCCITFOYWCQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.68
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid

1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid (PubChem CID 2879903) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
PubChem CID2879903
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
SMILESCc1ccc(CN2CCN(C(C)C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2.C2H2O4/c1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;3-1(4)2(5)6/h4-7,13H,8-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyGQRQCCITFOYWCQ-UHFFFAOYSA-N
XLogP1.68
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclizine Lactate
CID 71473
1-Benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
CID 23724195
2-cyclohexyl-3,4-dihydro-1H-isoquinoline;oxalic acid
CID 23724275
1-(2-Methyl-benzyl)-4-(2-trifluoromethyl-benzyl)-piperazine
CID 11948901
1-(4-Methyl-benzyl)-4-(2-trifluoromethyl-benzyl)-piperazine
CID 11948905
1-[(2-Fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 16195106
Benzyl-(2-fluoro-benzyl)-methyl-amine
CID 654983
Ethyl 4-(2,4-difluorobenzyl)-1-piperazinecarboxylate oxalate
CID 2846018
N-benzyl-1-(3-cyclohexen-1-ylmethyl)-N-ethyl-4-piperidinecarboxamide oxalate
CID 2903453
4-(1-Azepanyl)-1'-benzyl-1,4'-bipiperidine oxalate
CID 2912655
1-Benzyl-4-bicyclo[2.2.1]hept-5-en-2-ylmethyl-piperazine
CID 11948878
oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine
CID 23724167

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid (CID 2879903) is 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid is Cc1ccc(CN2CCN(C(C)C)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid?
The InChIKey is GQRQCCITFOYWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C2H2O4/c1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;3-1(4)2(5)6/h4-7,13H,8-12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid?
1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid has a molecular weight of 322.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid is sourced from PubChem (CID 2879903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).