1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine

C19H40N2 — CID 64849696

IUPAC1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine
SMILESCCCCC(CC)CN1CC(CC(C)C)NCC1CCC
InChIInChI=1S/C19H40N2/c1-6-9-11-17(8-3)14-21-15-18(12-16(4)5)20-13-19(21)10-7-2/h16-20H,6-15H2,1-5H3
InChIKeyBKIMAPDXGKLKGD-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds10

About 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine

1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine (PubChem CID 64849696) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine.

Molecular Properties

Compound Name1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine
PubChem CID64849696
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine
SMILESCCCCC(CC)CN1CC(CC(C)C)NCC1CCC
InChIInChI=1S/C19H40N2/c1-6-9-11-17(8-3)14-21-15-18(12-16(4)5)20-13-19(21)10-7-2/h16-20H,6-15H2,1-5H3
InChIKeyBKIMAPDXGKLKGD-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-ethylhexyl)-5-propylpiperazine
CID 64846777
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
5-ethyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64842892
5-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)-2-propylpiperazine
CID 64849887
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941869
1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 104812476
1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 64849116
5-tert-butyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64841242

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine?
The IUPAC name of 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine (CID 64849696) is 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine.
What is the SMILES notation for 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine?
The canonical SMILES for 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine is CCCCC(CC)CN1CC(CC(C)C)NCC1CCC.
What is the InChIKey of 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine?
The InChIKey is BKIMAPDXGKLKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-9-11-17(8-3)14-21-15-18(12-16(4)5)20-13-19(21)10-7-2/h16-20H,6-15H2,1-5H3.
What are the key properties of 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine?
1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine is sourced from PubChem (CID 64849696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).