2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine

C16H32N2 — CID 114014077

IUPAC2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
SMILESCCCC1CN(CC=C(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C16H32N2/c1-7-8-14-12-18(10-9-13(2)3)15(11-17-14)16(4,5)6/h9,14-15,17H,7-8,10-12H2,1-6H3
InChIKeyLNPIJHYVEHYHNG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds4

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

2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine (PubChem CID 114014077) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
PubChem CID114014077
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
SMILESCCCC1CN(CC=C(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C16H32N2/c1-7-8-14-12-18(10-9-13(2)3)15(11-17-14)16(4,5)6/h9,14-15,17H,7-8,10-12H2,1-6H3
InChIKeyLNPIJHYVEHYHNG-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.44
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-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
CID 107901441
2-tert-butyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838594
2-tert-butyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64839180
2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83169601
2-tert-butyl-1-(2-propan-2-yloxyethyl)-5-propylpiperazine
CID 64838014
2-tert-butyl-5-(2-methylpropyl)-1-propylpiperazine
CID 64849135
2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292
5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644846
2-tert-butyl-1-cyclohexyl-5-propylpiperazine
CID 82936428
2-tert-butyl-5-ethyl-1-(2-methylpentyl)piperazine
CID 64841762
2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 79263883
1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine
CID 106440351

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine?
The IUPAC name of 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine (CID 114014077) is 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine is CCCC1CN(CC=C(C)C)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine?
The InChIKey is LNPIJHYVEHYHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-8-14-12-18(10-9-13(2)3)15(11-17-14)16(4,5)6/h9,14-15,17H,7-8,10-12H2,1-6H3.
What are the key properties of 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine?
2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine is sourced from PubChem (CID 114014077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).