2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one

C14H20N2O — CID 15592133

IUPAC2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one
SMILESCC(C)N1CCN(c2cccccc2=O)CC1
InChIInChI=1S/C14H20N2O/c1-12(2)15-8-10-16(11-9-15)13-6-4-3-5-7-14(13)17/h3-7,12H,8-11H2,1-2H3
InChIKeyJIIZTIIDZUULON-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.58
Rot. Bonds2

About 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one

2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one (PubChem CID 15592133) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one
PubChem CID15592133
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one
SMILESCC(C)N1CCN(c2cccccc2=O)CC1
InChIInChI=1S/C14H20N2O/c1-12(2)15-8-10-16(11-9-15)13-6-4-3-5-7-14(13)17/h3-7,12H,8-11H2,1-2H3
InChIKeyJIIZTIIDZUULON-UHFFFAOYSA-N
XLogP1.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one (CID 15592133) is 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one is CC(C)N1CCN(c2cccccc2=O)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one?
The InChIKey is JIIZTIIDZUULON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(2)15-8-10-16(11-9-15)13-6-4-3-5-7-14(13)17/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one?
2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one has a molecular weight of 232.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 15592133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).