1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine

C18H38N2 — CID 162767005

IUPAC1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(C)(C)CC(C)(C)C(C)C)CC1
InChIInChI=1S/C18H38N2/c1-15(2)18(7,8)13-17(5,6)14-19-9-11-20(12-10-19)16(3)4/h15-16H,9-14H2,1-8H3
InChIKeyHIZNEGHVJCLQOW-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.11
Rot. Bonds6

About 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine

1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine (PubChem CID 162767005) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine
PubChem CID162767005
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(C)(C)CC(C)(C)C(C)C)CC1
InChIInChI=1S/C18H38N2/c1-15(2)18(7,8)13-17(5,6)14-19-9-11-20(12-10-19)16(3)4/h15-16H,9-14H2,1-8H3
InChIKeyHIZNEGHVJCLQOW-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine (CID 162767005) is 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CC(C)(C)CC(C)(C)C(C)C)CC1.
What is the InChIKey of 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine?
The InChIKey is HIZNEGHVJCLQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-15(2)18(7,8)13-17(5,6)14-19-9-11-20(12-10-19)16(3)4/h15-16H,9-14H2,1-8H3.
What are the key properties of 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine?
1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 162767005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).