1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one

C17H26N2O2 — CID 4122027

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCOc1ccccc1N1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)16(20)13-18-9-11-19(12-10-18)14-7-5-6-8-15(14)21-4/h5-8H,9-13H2,1-4H3
InChIKeyPTMOCJYMOYBMRW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one (PubChem CID 4122027) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
PubChem CID4122027
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCOc1ccccc1N1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)16(20)13-18-9-11-19(12-10-18)14-7-5-6-8-15(14)21-4/h5-8H,9-13H2,1-4H3
InChIKeyPTMOCJYMOYBMRW-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylbut-2-enoic acid
CID 18954705
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709738
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
CID 54039106
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715
N-(2,6-ditert-butylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxopropanamide
CID 67940510
N-(2-acetamidoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 36845006
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
CID 166286980
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
CID 20985299
1-[(E)-3-chloroprop-2-enyl]-4-(2-methoxyphenyl)piperazine;sulfuric acid
CID 5478301
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one (CID 4122027) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one is COc1ccccc1N1CCN(CC(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The InChIKey is PTMOCJYMOYBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)16(20)13-18-9-11-19(12-10-18)14-7-5-6-8-15(14)21-4/h5-8H,9-13H2,1-4H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 4122027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).