ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate

C14H24N2O2 — CID 2845830

IUPACethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-2-18-14(17)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3
InChIKeyMJOLWTUADZBHOZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.12
Rot. Bonds3

About ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate

ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate (PubChem CID 2845830) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate
PubChem CID2845830
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-2-18-14(17)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3
InChIKeyMJOLWTUADZBHOZ-UHFFFAOYSA-N
XLogP2.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate (CID 2845830) is ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate?
The InChIKey is MJOLWTUADZBHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-18-14(17)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3.
What are the key properties of ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate?
ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 2845830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).