1-[(E)-but-2-enyl]-2-cyclohexylpiperazine

C14H26N2 — CID 107897882

IUPAC1-[(E)-but-2-enyl]-2-cyclohexylpiperazine
SMILESC/C=C/CN1CCNCC1C1CCCCC1
InChIInChI=1S/C14H26N2/c1-2-3-10-16-11-9-15-12-14(16)13-7-5-4-6-8-13/h2-3,13-15H,4-12H2,1H3/b3-2+
InChIKeyCKAMNPPMHONKHT-NSCUHMNNSA-N
MW222.38 g/mol
LogP2.42
Rot. Bonds3

About 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine

1-[(E)-but-2-enyl]-2-cyclohexylpiperazine (PubChem CID 107897882) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-cyclohexylpiperazine
PubChem CID107897882
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(E)-but-2-enyl]-2-cyclohexylpiperazine
SMILESC/C=C/CN1CCNCC1C1CCCCC1
InChIInChI=1S/C14H26N2/c1-2-3-10-16-11-9-15-12-14(16)13-7-5-4-6-8-13/h2-3,13-15H,4-12H2,1H3/b3-2+
InChIKeyCKAMNPPMHONKHT-NSCUHMNNSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.42
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-cyclohexyl-5,5-dimethylpiperazine
CID 107897937
1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine
CID 114013929
2-cyclopropyl-1-prop-2-enylpiperazine
CID 64833735
4-[(E)-but-2-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 130581238
2-cyclohexyl-1-hexylpiperazine
CID 64846644
2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine
CID 64845062
2-cyclohexyl-1-(2-ethylsulfonylethyl)piperazine
CID 106732784
2-cyclohexyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64845060
2-cyclohexyl-1-cyclopentylpiperazine
CID 82936755
2-cyclohexyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414076
2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458501
N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride
CID 69430196

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine (CID 107897882) is 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine is C/C=C/CN1CCNCC1C1CCCCC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine?
The InChIKey is CKAMNPPMHONKHT-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-3-10-16-11-9-15-12-14(16)13-7-5-4-6-8-13/h2-3,13-15H,4-12H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-2-cyclohexylpiperazine?
1-[(E)-but-2-enyl]-2-cyclohexylpiperazine has a molecular weight of 222.38 g/mol, XLogP of 2.42, 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-cyclohexylpiperazine is sourced from PubChem (CID 107897882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).