5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine

C19H36N2 — CID 107901569

IUPAC5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine
SMILESCC(C)=CCN1CC(C(C)(C)C)NCC1C1CCCCC1
InChIInChI=1S/C19H36N2/c1-15(2)11-12-21-14-18(19(3,4)5)20-13-17(21)16-9-7-6-8-10-16/h11,16-18,20H,6-10,12-14H2,1-5H3
InChIKeyNTQHNVFOXRUWSH-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.22
Rot. Bonds3

About 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine

5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine (PubChem CID 107901569) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine
PubChem CID107901569
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine
SMILESCC(C)=CCN1CC(C(C)(C)C)NCC1C1CCCCC1
InChIInChI=1S/C19H36N2/c1-15(2)11-12-21-14-18(19(3,4)5)20-13-17(21)16-9-7-6-8-10-16/h11,16-18,20H,6-10,12-14H2,1-5H3
InChIKeyNTQHNVFOXRUWSH-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.22
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-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine
CID 64842807
5-tert-butyl-1-(cyclopentylmethyl)-2-cyclopropylpiperazine
CID 64841267
5-tert-butyl-2-cyclopropyl-1-octylpiperazine
CID 64841844
1-[(E)-but-2-enyl]-2-cyclohexyl-5-ethylpiperazine
CID 114013929
5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
CID 64841456
5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901858
5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64841649
2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
CID 114014077
5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine
CID 64842417
2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901505
3-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 154601200
2,5-ditert-butyl-1-cyclohexylpiperazine
CID 82937382

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine?
The IUPAC name of 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine (CID 107901569) is 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine is CC(C)=CCN1CC(C(C)(C)C)NCC1C1CCCCC1.
What is the InChIKey of 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine?
The InChIKey is NTQHNVFOXRUWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-15(2)11-12-21-14-18(19(3,4)5)20-13-17(21)16-9-7-6-8-10-16/h11,16-18,20H,6-10,12-14H2,1-5H3.
What are the key properties of 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine?
5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine has a molecular weight of 292.51 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine is sourced from PubChem (CID 107901569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).