5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine

C19H40N2 — CID 64849197

IUPAC5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
SMILESCCCCC(CC)CN1CC(C(C)CC)NCC1C(C)C
InChIInChI=1S/C19H40N2/c1-7-10-11-17(9-3)13-21-14-18(16(6)8-2)20-12-19(21)15(4)5/h15-20H,7-14H2,1-6H3
InChIKeyPJAHEINZTCYZGO-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds9

About 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine

5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine (PubChem CID 64849197) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
PubChem CID64849197
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
SMILESCCCCC(CC)CN1CC(C(C)CC)NCC1C(C)C
InChIInChI=1S/C19H40N2/c1-7-10-11-17(9-3)13-21-14-18(16(6)8-2)20-12-19(21)15(4)5/h15-20H,7-14H2,1-6H3
InChIKeyPJAHEINZTCYZGO-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64847473
5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
CID 64937634
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
CID 106440439
5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
CID 115943623
5-butan-2-yl-1-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 79558802
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
5-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016484
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010
5-butan-2-yl-1-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64938181
5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64939021

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine (CID 64849197) is 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine is CCCCC(CC)CN1CC(C(C)CC)NCC1C(C)C.
What is the InChIKey of 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine?
The InChIKey is PJAHEINZTCYZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-10-11-17(9-3)13-21-14-18(16(6)8-2)20-12-19(21)15(4)5/h15-20H,7-14H2,1-6H3.
What are the key properties of 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine?
5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64849197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).