ethyl 1-hept-6-enylpiperazine-2-carboxylate

C14H26N2O2 — CID 107008028

IUPACethyl 1-hept-6-enylpiperazine-2-carboxylate
SMILESC=CCCCCCN1CCNCC1C(=O)OCC
InChIInChI=1S/C14H26N2O2/c1-3-5-6-7-8-10-16-11-9-15-12-13(16)14(17)18-4-2/h3,13,15H,1,4-12H2,2H3
InChIKeySTMJHUJEYXTNIJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds8

About ethyl 1-hept-6-enylpiperazine-2-carboxylate

ethyl 1-hept-6-enylpiperazine-2-carboxylate (PubChem CID 107008028) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 1-hept-6-enylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-hept-6-enylpiperazine-2-carboxylate
PubChem CID107008028
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 1-hept-6-enylpiperazine-2-carboxylate
SMILESC=CCCCCCN1CCNCC1C(=O)OCC
InChIInChI=1S/C14H26N2O2/c1-3-5-6-7-8-10-16-11-9-15-12-13(16)14(17)18-4-2/h3,13,15H,1,4-12H2,2H3
InChIKeySTMJHUJEYXTNIJ-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 1-hept-6-enylpiperazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hept-6-enylpiperazine-2-carboxylic acid
CID 107008029
ethyl 1-(4,4,4-trifluorobutyl)piperazine-2-carboxylate
CID 115514922
ethyl 1-(3-chloroprop-2-enyl)piperazine-2-carboxylate
CID 77074295
ethyl 1-(4,4-dimethylpent-2-ynyl)piperazine-2-carboxylate
CID 114190078
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 10850510
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
ethyl 1-[(4,5-dibromothiophen-2-yl)methyl]piperazine-2-carboxylate
CID 102841745
ethyl 1-hexa-2,4-dienoylpiperazine-2-carboxylate
CID 77074329
ethyl 1-piperidin-4-ylpiperazine-2-carboxylate
CID 141178631
1-[(E)-4-ethoxy-4-oxobut-2-enyl]piperazine-2-carboxylic acid
CID 80549154
ethyl 1-[(4,6-dichloro-3-pyridinyl)methyl]piperazine-2-carboxylate
CID 116519819

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hept-6-enylpiperazine-2-carboxylate?
The IUPAC name of ethyl 1-hept-6-enylpiperazine-2-carboxylate (CID 107008028) is ethyl 1-hept-6-enylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-hept-6-enylpiperazine-2-carboxylate?
The canonical SMILES for ethyl 1-hept-6-enylpiperazine-2-carboxylate is C=CCCCCCN1CCNCC1C(=O)OCC.
What is the InChIKey of ethyl 1-hept-6-enylpiperazine-2-carboxylate?
The InChIKey is STMJHUJEYXTNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-6-7-8-10-16-11-9-15-12-13(16)14(17)18-4-2/h3,13,15H,1,4-12H2,2H3.
What are the key properties of ethyl 1-hept-6-enylpiperazine-2-carboxylate?
ethyl 1-hept-6-enylpiperazine-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hept-6-enylpiperazine-2-carboxylate is sourced from PubChem (CID 107008028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).