1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride

C12H22Cl2N2 — CID 44828158

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride
SMILESC1=CC2CC1CC2CN1CCNCC1.Cl.Cl
InChIInChI=1S/C12H20N2.2ClH/c1-2-11-7-10(1)8-12(11)9-14-5-3-13-4-6-14;;/h1-2,10-13H,3-9H2;2*1H
InChIKeyQDFOPPHXESKAJK-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.95
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride (PubChem CID 44828158) has the molecular formula C12H22Cl2N2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride
PubChem CID44828158
Molecular FormulaC12H22Cl2N2
Molecular Weight265.23 g/mol
Exact Mass264.12
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride
SMILESC1=CC2CC1CC2CN1CCNCC1.Cl.Cl
InChIInChI=1S/C12H20N2.2ClH/c1-2-11-7-10(1)8-12(11)9-14-5-3-13-4-6-14;;/h1-2,10-13H,3-9H2;2*1H
InChIKeyQDFOPPHXESKAJK-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
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)piperazine;dihydrochloride?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride (CID 44828158) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride is C1=CC2CC1CC2CN1CCNCC1.Cl.Cl.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride?
The InChIKey is QDFOPPHXESKAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.2ClH/c1-2-11-7-10(1)8-12(11)9-14-5-3-13-4-6-14;;/h1-2,10-13H,3-9H2;2*1H.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine;dihydrochloride has a molecular weight of 265.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 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)piperazine;dihydrochloride is sourced from PubChem (CID 44828158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).