1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine

C16H30N2 — CID 114013929

IUPAC1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine
SMILESC/C=C/CN1CC(CC)NCC1C1CCCCC1
InChIInChI=1S/C16H30N2/c1-3-5-11-18-13-15(4-2)17-12-16(18)14-9-7-6-8-10-14/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+
InChIKeyBZKZZGVXRIXTBW-HWKANZROSA-N
MW250.43 g/mol
LogP3.20
Rot. Bonds4

About 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine

1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine (PubChem CID 114013929) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine
PubChem CID114013929
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine
SMILESC/C=C/CN1CC(CC)NCC1C1CCCCC1
InChIInChI=1S/C16H30N2/c1-3-5-11-18-13-15(4-2)17-12-16(18)14-9-7-6-8-10-14/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+
InChIKeyBZKZZGVXRIXTBW-HWKANZROSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine
CID 107897904
1-[(E)-but-2-enyl]-2-cyclohexylpiperazine
CID 107897882
2-cyclopropyl-5-ethyl-1-propylpiperazine
CID 64842143
1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine
CID 107897937
1-cyclohexyl-2-cyclopropyl-5-ethylpiperazine
CID 82936170
1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine
CID 107897901
2-cyclohexyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838406
5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine
CID 107901569
2-cyclohexyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83148151
2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine
CID 64841946
1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 114013930
2-cyclopropyl-1-ethyl-5-propylpiperazine
CID 64838589

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine (CID 114013929) is 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine is C/C=C/CN1CC(CC)NCC1C1CCCCC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine?
The InChIKey is BZKZZGVXRIXTBW-HWKANZROSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-5-11-18-13-15(4-2)17-12-16(18)14-9-7-6-8-10-14/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine?
1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine is sourced from PubChem (CID 114013929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).