3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one

C17H26N2O — CID 43229060

IUPAC3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
SMILESCN1CCN(CC(=O)C(C)(C)C)C(c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-17(2,3)16(20)13-19-11-10-18(4)12-15(19)14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKeyCEPQLVTZRHWHMG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds3

About 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one

3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one (PubChem CID 43229060) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
PubChem CID43229060
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
SMILESCN1CCN(CC(=O)C(C)(C)C)C(c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-17(2,3)16(20)13-19-11-10-18(4)12-15(19)14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKeyCEPQLVTZRHWHMG-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
CID 107507077
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide
CID 98706500
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
N-(4-chlorophenyl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801852
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
CID 62263763
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801973
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one (CID 43229060) is 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one is CN1CCN(CC(=O)C(C)(C)C)C(c2ccccc2)C1.
What is the InChIKey of 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one?
The InChIKey is CEPQLVTZRHWHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)16(20)13-19-11-10-18(4)12-15(19)14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one?
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one is sourced from PubChem (CID 43229060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).