1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine

C15H28N2 — CID 107898082

IUPAC1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
SMILESC/C=C/CN1CC(C)(C2CC2)NCC1(C)CC
InChIInChI=1S/C15H28N2/c1-5-7-10-17-12-15(4,13-8-9-13)16-11-14(17,3)6-2/h5,7,13,16H,6,8-12H2,1-4H3/b7-5+
InChIKeyFUELUTBGCBKFJV-FNORWQNLSA-N
MW236.40 g/mol
LogP2.81
Rot. Bonds4

About 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine

1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine (PubChem CID 107898082) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
PubChem CID107898082
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
SMILESC/C=C/CN1CC(C)(C2CC2)NCC1(C)CC
InChIInChI=1S/C15H28N2/c1-5-7-10-17-12-15(4,13-8-9-13)16-11-14(17,3)6-2/h5,7,13,16H,6,8-12H2,1-4H3/b7-5+
InChIKeyFUELUTBGCBKFJV-FNORWQNLSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.81
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

5-cyclopropyl-1-(3,3-dimethylbutyl)-2-ethyl-2,5-dimethylpiperazine
CID 64876359
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64878482
1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 64875981
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64876360
1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 82936095
1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 79445840
2,5-dicyclopropyl-1-ethyl-2,5-dimethylpiperazine
CID 64859833
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64878294
1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine
CID 107897969
1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 107898076
5-cyclopropyl-2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine
CID 80697138
5-cyclopropyl-2,2-diethyl-1,5-dimethylpiperazine
CID 64860018

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine (CID 107898082) is 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine is C/C=C/CN1CC(C)(C2CC2)NCC1(C)CC.
What is the InChIKey of 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The InChIKey is FUELUTBGCBKFJV-FNORWQNLSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-7-10-17-12-15(4,13-8-9-13)16-11-14(17,3)6-2/h5,7,13,16H,6,8-12H2,1-4H3/b7-5+.
What are the key properties of 1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine has a molecular weight of 236.40 g/mol, XLogP of 2.81, 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]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 107898082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).