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

C16H30N2 — CID 107897937

IUPAC1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine
SMILESC/C=C/CN1CC(C)(C)NCC1C1CCCCC1
InChIInChI=1S/C16H30N2/c1-4-5-11-18-13-16(2,3)17-12-15(18)14-9-7-6-8-10-14/h4-5,14-15,17H,6-13H2,1-3H3/b5-4+
InChIKeyRQXRCJQNEUGEOA-SNAWJCMRSA-N
MW250.43 g/mol
LogP3.20
Rot. Bonds3

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

1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine (PubChem CID 107897937) 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-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine
PubChem CID107897937
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine
SMILESC/C=C/CN1CC(C)(C)NCC1C1CCCCC1
InChIInChI=1S/C16H30N2/c1-4-5-11-18-13-16(2,3)17-12-15(18)14-9-7-6-8-10-14/h4-5,14-15,17H,6-13H2,1-3H3/b5-4+
InChIKeyRQXRCJQNEUGEOA-SNAWJCMRSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-cyclohexyl-1-(2-fluoroethyl)-5,5-dimethylpiperazine
CID 80698025
2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901505
2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine
CID 64840300
1-[(E)-but-2-enyl]-2-cyclohexylpiperazine
CID 107897882
1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine
CID 114013929
1-cycloheptyl-2-cyclopropyl-5,5-dimethylpiperazine
CID 82936766
2-cyclopropyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
CID 64839324
2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64838935
2-cyclohexyl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64849473
1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 107898076
2-cyclohexyl-1-(cyclopropylmethyl)-5,5-diethylpiperazine
CID 64860640
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 105409978

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine (CID 107897937) is 1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine is C/C=C/CN1CC(C)(C)NCC1C1CCCCC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine?
The InChIKey is RQXRCJQNEUGEOA-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-5-11-18-13-16(2,3)17-12-15(18)14-9-7-6-8-10-14/h4-5,14-15,17H,6-13H2,1-3H3/b5-4+.
What are the key properties of 1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine?
1-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 3.20, 3 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-5,5-dimethylpiperazine is sourced from PubChem (CID 107897937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).