1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine

C12H20N2 — CID 142272157

IUPAC1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine
SMILESCN1CCN(C2=CC3CC3CC2)CC1
InChIInChI=1S/C12H20N2/c1-13-4-6-14(7-5-13)12-3-2-10-8-11(10)9-12/h9-11H,2-8H2,1H3
InChIKeyHCFPVZSCXBAWKW-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.55
Rot. Bonds1

About 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine

1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine (PubChem CID 142272157) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine
PubChem CID142272157
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine
SMILESCN1CCN(C2=CC3CC3CC2)CC1
InChIInChI=1S/C12H20N2/c1-13-4-6-14(7-5-13)12-3-2-10-8-11(10)9-12/h9-11H,2-8H2,1H3
InChIKeyHCFPVZSCXBAWKW-UHFFFAOYSA-N
XLogP1.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine?
The IUPAC name of 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine (CID 142272157) is 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine is CN1CCN(C2=CC3CC3CC2)CC1.
What is the InChIKey of 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine?
The InChIKey is HCFPVZSCXBAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-13-4-6-14(7-5-13)12-3-2-10-8-11(10)9-12/h9-11H,2-8H2,1H3.
What are the key properties of 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine?
1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine has a molecular weight of 192.31 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[4.1.0]hept-2-enyl)-4-methylpiperazine is sourced from PubChem (CID 142272157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).