1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid

C16H30N2O4 — CID 17369821

IUPAC1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
SMILESCCC(C)N1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H28N2.C2H2O4/c1-3-13(2)15-9-11-16(12-10-15)14-7-5-4-6-8-14;3-1(4)2(5)6/h13-14H,3-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPPPWWNRXPVBAGT-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.89
Rot. Bonds3

About 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid

1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid (PubChem CID 17369821) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
PubChem CID17369821
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
SMILESCCC(C)N1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H28N2.C2H2O4/c1-3-13(2)15-9-11-16(12-10-15)14-7-5-4-6-8-14;3-1(4)2(5)6/h13-14H,3-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPPPWWNRXPVBAGT-UHFFFAOYSA-N
XLogP1.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-4-cyclohexylpiperazine;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

2-(4-butan-2-ylpiperazin-1-yl)cycloheptane-1-carboxylic acid
CID 63074577
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79642243
4-(4-cyclopentylpiperazin-1-yl)pentan-2-ol
CID 64720163
ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
CID 55063212
[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
CID 79634360
1,4-dicyclohexyl-7-[1-(4,7-dicyclohexyl-1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane
CID 23439594
3-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 79643371
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
2-(4-butan-2-ylpiperazin-1-yl)cyclooctan-1-amine
CID 55117691
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid?
The IUPAC name of 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid (CID 17369821) is 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid.
What is the SMILES notation for 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid?
The canonical SMILES for 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid is CCC(C)N1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid?
The InChIKey is PPPWWNRXPVBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C2H2O4/c1-3-13(2)15-9-11-16(12-10-15)14-7-5-4-6-8-14;3-1(4)2(5)6/h13-14H,3-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid?
1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid has a molecular weight of 314.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid is sourced from PubChem (CID 17369821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).