1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine

C18H24N2 — CID 2845487

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine
SMILESC1=CC2CC1CC2CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-7,15-17H,8-14H2
InChIKeyXHLIVZUGWXPOEE-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine (PubChem CID 2845487) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine
PubChem CID2845487
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine
SMILESC1=CC2CC1CC2CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-7,15-17H,8-14H2
InChIKeyXHLIVZUGWXPOEE-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.02
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-phenylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine (CID 2845487) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine is C1=CC2CC1CC2CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine?
The InChIKey is XHLIVZUGWXPOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-7,15-17H,8-14H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-phenylpiperazine has a molecular weight of 268.40 g/mol, XLogP of 3.02, 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-phenylpiperazine is sourced from PubChem (CID 2845487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).