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

C19H32N2 — CID 2881483

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine
SMILESC1=CC2CC1CC2CN1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H32N2/c1-2-4-6-19(5-3-1)21-11-9-20(10-12-21)15-18-14-16-7-8-17(18)13-16/h7-8,16-19H,1-6,9-15H2
InChIKeyXCBFRNWRTZBQAU-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.54
Rot. Bonds3

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

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine (PubChem CID 2881483) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine
PubChem CID2881483
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine
SMILESC1=CC2CC1CC2CN1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H32N2/c1-2-4-6-19(5-3-1)21-11-9-20(10-12-21)15-18-14-16-7-8-17(18)13-16/h7-8,16-19H,1-6,9-15H2
InChIKeyXCBFRNWRTZBQAU-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.54
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-cycloheptylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine (CID 2881483) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine is C1=CC2CC1CC2CN1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine?
The InChIKey is XCBFRNWRTZBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-2-4-6-19(5-3-1)21-11-9-20(10-12-21)15-18-14-16-7-8-17(18)13-16/h7-8,16-19H,1-6,9-15H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cycloheptylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.54, 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-cycloheptylpiperazine is sourced from PubChem (CID 2881483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).