2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine

C21H44N4 — CID 135176178

IUPAC2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine
SMILESCC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2C)CC1
InChIInChI=1S/C21H44N4/c1-17(2)22-10-12-23(13-11-22)19(5)8-9-20(6)25-15-14-24(18(3)4)16-21(25)7/h17-21H,8-16H2,1-7H3
InChIKeyHMUPUVVIHLBCDY-UHFFFAOYSA-N
MW352.61 g/mol
LogP2.98
Rot. Bonds7

About 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine

2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine (PubChem CID 135176178) has the molecular formula C21H44N4 and a molecular weight of 352.61 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine
PubChem CID135176178
Molecular FormulaC21H44N4
Molecular Weight352.61 g/mol
Exact Mass352.36
IUPAC Name2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine
SMILESCC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2C)CC1
InChIInChI=1S/C21H44N4/c1-17(2)22-10-12-23(13-11-22)19(5)8-9-20(6)25-15-14-24(18(3)4)16-21(25)7/h17-21H,8-16H2,1-7H3
InChIKeyHMUPUVVIHLBCDY-UHFFFAOYSA-N
XLogP2.98
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine?
The IUPAC name of 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine (CID 135176178) is 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine.
What is the SMILES notation for 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine?
The canonical SMILES for 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine is CC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2C)CC1.
What is the InChIKey of 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine?
The InChIKey is HMUPUVVIHLBCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N4/c1-17(2)22-10-12-23(13-11-22)19(5)8-9-20(6)25-15-14-24(18(3)4)16-21(25)7/h17-21H,8-16H2,1-7H3.
What are the key properties of 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine?
2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine has a molecular weight of 352.61 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine is sourced from PubChem (CID 135176178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).