1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C17H26N2O — CID 113075589

IUPAC1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1cc(C)cc(N2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-13-10-14(2)12-15(11-13)18-6-8-19(9-7-18)16(20)17(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyZTHDULJZZNOFER-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.00
Rot. Bonds1

About 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 113075589) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID113075589
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1cc(C)cc(N2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-13-10-14(2)12-15(11-13)18-6-8-19(9-7-18)16(20)17(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyZTHDULJZZNOFER-UHFFFAOYSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
4-[2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961055
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
1-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3165141
2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
CID 82118959
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642429
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 113075589) is 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is Cc1cc(C)cc(N2CCN(C(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZTHDULJZZNOFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-10-14(2)12-15(11-13)18-6-8-19(9-7-18)16(20)17(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 113075589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).