5-tert-butyl-1-heptyl-2-propylpiperazine

C18H38N2 — CID 64841631

IUPAC5-tert-butyl-1-heptyl-2-propylpiperazine
SMILESCCCCCCCN1CC(C(C)(C)C)NCC1CCC
InChIInChI=1S/C18H38N2/c1-6-8-9-10-11-13-20-15-17(18(3,4)5)19-14-16(20)12-7-2/h16-17,19H,6-15H2,1-5H3
InChIKeyBDPSIXFSSGBUQQ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds8

About 5-tert-butyl-1-heptyl-2-propylpiperazine

5-tert-butyl-1-heptyl-2-propylpiperazine (PubChem CID 64841631) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 5-tert-butyl-1-heptyl-2-propylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-heptyl-2-propylpiperazine
PubChem CID64841631
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name5-tert-butyl-1-heptyl-2-propylpiperazine
SMILESCCCCCCCN1CC(C(C)(C)C)NCC1CCC
InChIInChI=1S/C18H38N2/c1-6-8-9-10-11-13-20-15-17(18(3,4)5)19-14-16(20)12-7-2/h16-17,19H,6-15H2,1-5H3
InChIKeyBDPSIXFSSGBUQQ-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-heptyl-2-propylpiperazine?
The IUPAC name of 5-tert-butyl-1-heptyl-2-propylpiperazine (CID 64841631) is 5-tert-butyl-1-heptyl-2-propylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-heptyl-2-propylpiperazine?
The canonical SMILES for 5-tert-butyl-1-heptyl-2-propylpiperazine is CCCCCCCN1CC(C(C)(C)C)NCC1CCC.
What is the InChIKey of 5-tert-butyl-1-heptyl-2-propylpiperazine?
The InChIKey is BDPSIXFSSGBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-8-9-10-11-13-20-15-17(18(3,4)5)19-14-16(20)12-7-2/h16-17,19H,6-15H2,1-5H3.
What are the key properties of 5-tert-butyl-1-heptyl-2-propylpiperazine?
5-tert-butyl-1-heptyl-2-propylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-heptyl-2-propylpiperazine is sourced from PubChem (CID 64841631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).