1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine

C14H27ClN2 — CID 107901683

IUPAC1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine
SMILESCCC1(C)CN(C/C=C/Cl)C(CC)(CC)CN1
InChIInChI=1S/C14H27ClN2/c1-5-13(4)12-17(10-8-9-15)14(6-2,7-3)11-16-13/h8-9,16H,5-7,10-12H2,1-4H3/b9-8+
InChIKeyICDKEZPAHBGRIG-CMDGGOBGSA-N
MW258.84 g/mol
LogP3.37
Rot. Bonds5

About 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine

1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine (PubChem CID 107901683) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine
PubChem CID107901683
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine
SMILESCCC1(C)CN(C/C=C/Cl)C(CC)(CC)CN1
InChIInChI=1S/C14H27ClN2/c1-5-13(4)12-17(10-8-9-15)14(6-2,7-3)11-16-13/h8-9,16H,5-7,10-12H2,1-4H3/b9-8+
InChIKeyICDKEZPAHBGRIG-CMDGGOBGSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine 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-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine
CID 114014141
1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 114014146
1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107901666
1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine
CID 64876760
5-ethyl-2,2,5-trimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848330
1-[(4-bromothiophen-2-yl)methyl]-2,2,5-triethyl-5-methylpiperazine
CID 64875991
1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine
CID 107901764
5-ethyl-1,2,2,5-tetramethylpiperazine
CID 64848331
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine
CID 107901496
5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64850036
1-(2,2-difluoroethyl)-5-ethyl-2,2,5-trimethylpiperazine
CID 64849845
5-ethyl-1-(2-ethylbutyl)-2,2,5-trimethylpiperazine
CID 82925415

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine (CID 107901683) is 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine is CCC1(C)CN(C/C=C/Cl)C(CC)(CC)CN1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine?
The InChIKey is ICDKEZPAHBGRIG-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H27ClN2/c1-5-13(4)12-17(10-8-9-15)14(6-2,7-3)11-16-13/h8-9,16H,5-7,10-12H2,1-4H3/b9-8+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine has a molecular weight of 258.84 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine is sourced from PubChem (CID 107901683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).