1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid

C20H28N2O4 — CID 17385176

IUPAC1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCN(C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C18H26N2.C2H2O4/c1-2-4-15(5-3-1)14-19-8-10-20(11-9-19)18-13-16-6-7-17(18)12-16;3-1(4)2(5)6/h1-5,16-18H,6-14H2;(H,3,4)(H,5,6)
InChIKeyNBFKHNPJPZZZFJ-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.15
Rot. Bonds3

About 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid

1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid (PubChem CID 17385176) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
PubChem CID17385176
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCN(C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C18H26N2.C2H2O4/c1-2-4-15(5-3-1)14-19-8-10-20(11-9-19)18-13-16-6-7-17(18)12-16;3-1(4)2(5)6/h1-5,16-18H,6-14H2;(H,3,4)(H,5,6)
InChIKeyNBFKHNPJPZZZFJ-UHFFFAOYSA-N
XLogP2.15
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.15
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-(2-bicyclo[2.2.1]heptanyl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366690
1-(1-benzylpiperidin-4-yl)-4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 11896886
1-(2-bicyclo[2.2.1]heptanyl)-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483737
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-chlorophenyl)methyl]piperazine
CID 50935549
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 6542710
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 21383089
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 11897044
2-(4-benzylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996804
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-bromophenyl)methyl]piperazine
CID 98125128
2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid
CID 117038247
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
CID 111701832
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid?
The IUPAC name of 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid (CID 17385176) is 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid.
What is the SMILES notation for 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid?
The canonical SMILES for 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid is O=C(O)C(=O)O.c1ccc(CN2CCN(C3CC4CCC3C4)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid?
The InChIKey is NBFKHNPJPZZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2.C2H2O4/c1-2-4-15(5-3-1)14-19-8-10-20(11-9-19)18-13-16-6-7-17(18)12-16;3-1(4)2(5)6/h1-5,16-18H,6-14H2;(H,3,4)(H,5,6).
What are the key properties of 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid?
1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid has a molecular weight of 360.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid is sourced from PubChem (CID 17385176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).