1-benzyl-4-cyclohexylpiperazine;oxalic acid

C19H28N2O4 — CID 126476719

IUPAC1-benzyl-4-cyclohexylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2.C2H2O4/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17;3-1(4)2(5)6/h1,3-4,7-8,17H,2,5-6,9-15H2;(H,3,4)(H,5,6)
InChIKeyNBXWUNITLPDJQQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.29
Rot. Bonds3

About 1-benzyl-4-cyclohexylpiperazine;oxalic acid

1-benzyl-4-cyclohexylpiperazine;oxalic acid (PubChem CID 126476719) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-benzyl-4-cyclohexylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-benzyl-4-cyclohexylpiperazine;oxalic acid
PubChem CID126476719
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-benzyl-4-cyclohexylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2.C2H2O4/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17;3-1(4)2(5)6/h1,3-4,7-8,17H,2,5-6,9-15H2;(H,3,4)(H,5,6)
InChIKeyNBXWUNITLPDJQQ-UHFFFAOYSA-N
XLogP2.29
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.29
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-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
1-cycloheptyl-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483560
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 84755578
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-3-cyclopentylpropan-1-one;oxalic acid
CID 90483423

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-cyclohexylpiperazine;oxalic acid?
The IUPAC name of 1-benzyl-4-cyclohexylpiperazine;oxalic acid (CID 126476719) is 1-benzyl-4-cyclohexylpiperazine;oxalic acid.
What is the SMILES notation for 1-benzyl-4-cyclohexylpiperazine;oxalic acid?
The canonical SMILES for 1-benzyl-4-cyclohexylpiperazine;oxalic acid is O=C(O)C(=O)O.c1ccc(CN2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-cyclohexylpiperazine;oxalic acid?
The InChIKey is NBXWUNITLPDJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C2H2O4/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17;3-1(4)2(5)6/h1,3-4,7-8,17H,2,5-6,9-15H2;(H,3,4)(H,5,6).
What are the key properties of 1-benzyl-4-cyclohexylpiperazine;oxalic acid?
1-benzyl-4-cyclohexylpiperazine;oxalic acid has a molecular weight of 348.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-cyclohexylpiperazine;oxalic acid is sourced from PubChem (CID 126476719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).