cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone

C12H20N2O — CID 3052997

IUPACcyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3
InChIKeyJKHZOQOBMMQNJJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.12
Rot. Bonds1

About cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone

cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 3052997) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID3052997
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Namecyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3
InChIKeyJKHZOQOBMMQNJJ-UHFFFAOYSA-N
XLogP1.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.12
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 cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone (CID 3052997) is cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CC=CCC2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JKHZOQOBMMQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone?
cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 3052997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).