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

C18H26N2 — CID 2846552

IUPAC1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine
SMILESc1ccc(CN2CCN(C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C18H26N2/c1-2-4-15(5-3-1)14-19-8-10-20(11-9-19)18-13-16-6-7-17(18)12-16/h1-5,16-18H,6-14H2
InChIKeyNFMXUROKUTYOGX-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.99
Rot. Bonds3

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

1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine (PubChem CID 2846552) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine
PubChem CID2846552
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine
SMILESc1ccc(CN2CCN(C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C18H26N2/c1-2-4-15(5-3-1)14-19-8-10-20(11-9-19)18-13-16-6-7-17(18)12-16/h1-5,16-18H,6-14H2
InChIKeyNFMXUROKUTYOGX-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine?
The IUPAC name of 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine (CID 2846552) is 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine is c1ccc(CN2CCN(C3CC4CCC3C4)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine?
The InChIKey is NFMXUROKUTYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-4-15(5-3-1)14-19-8-10-20(11-9-19)18-13-16-6-7-17(18)12-16/h1-5,16-18H,6-14H2.
What are the key properties of 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine?
1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine has a molecular weight of 270.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine is sourced from PubChem (CID 2846552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).