piperazin-1-yl-(2-propan-2-ylphenyl)methanone

C14H20N2O — CID 82510229

IUPACpiperazin-1-yl-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)N1CCNCC1
InChIInChI=1S/C14H20N2O/c1-11(2)12-5-3-4-6-13(12)14(17)16-9-7-15-8-10-16/h3-6,11,15H,7-10H2,1-2H3
InChIKeyRBRCUYDHLQGIDU-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.86
Rot. Bonds2

About piperazin-1-yl-(2-propan-2-ylphenyl)methanone

piperazin-1-yl-(2-propan-2-ylphenyl)methanone (PubChem CID 82510229) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is piperazin-1-yl-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(2-propan-2-ylphenyl)methanone
PubChem CID82510229
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Namepiperazin-1-yl-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)N1CCNCC1
InChIInChI=1S/C14H20N2O/c1-11(2)12-5-3-4-6-13(12)14(17)16-9-7-15-8-10-16/h3-6,11,15H,7-10H2,1-2H3
InChIKeyRBRCUYDHLQGIDU-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119403179
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
CID 82509255
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282
(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82510734
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone
CID 164984129

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(2-propan-2-ylphenyl)methanone?
The IUPAC name of piperazin-1-yl-(2-propan-2-ylphenyl)methanone (CID 82510229) is piperazin-1-yl-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for piperazin-1-yl-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for piperazin-1-yl-(2-propan-2-ylphenyl)methanone is CC(C)c1ccccc1C(=O)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(2-propan-2-ylphenyl)methanone?
The InChIKey is RBRCUYDHLQGIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)12-5-3-4-6-13(12)14(17)16-9-7-15-8-10-16/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of piperazin-1-yl-(2-propan-2-ylphenyl)methanone?
piperazin-1-yl-(2-propan-2-ylphenyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 82510229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).