1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine

C18H23ClN2 — CID 2846174

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCN(CC3CC4C=CC3C4)CC2)c1
InChIInChI=1S/C18H23ClN2/c19-17-2-1-3-18(12-17)21-8-6-20(7-9-21)13-16-11-14-4-5-15(16)10-14/h1-5,12,14-16H,6-11,13H2
InChIKeyXZJYBSFWSAQBIV-UHFFFAOYSA-N
MW302.85 g/mol
LogP3.67
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine (PubChem CID 2846174) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine
PubChem CID2846174
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCN(CC3CC4C=CC3C4)CC2)c1
InChIInChI=1S/C18H23ClN2/c19-17-2-1-3-18(12-17)21-8-6-20(7-9-21)13-16-11-14-4-5-15(16)10-14/h1-5,12,14-16H,6-11,13H2
InChIKeyXZJYBSFWSAQBIV-UHFFFAOYSA-N
XLogP3.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine (CID 2846174) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine is Clc1cccc(N2CCN(CC3CC4C=CC3C4)CC2)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine?
The InChIKey is XZJYBSFWSAQBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c19-17-2-1-3-18(12-17)21-8-6-20(7-9-21)13-16-11-14-4-5-15(16)10-14/h1-5,12,14-16H,6-11,13H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine has a molecular weight of 302.85 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 2846174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).