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

C17H26N2O2 — CID 66455314

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCOc1cccc(N2CCN(CC(C)(C)C(C)=O)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-14(20)17(2,3)13-18-8-10-19(11-9-18)15-6-5-7-16(12-15)21-4/h5-7,12H,8-11,13H2,1-4H3
InChIKeyNOPXTZREEOUSPL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds5

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

4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one (PubChem CID 66455314) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
PubChem CID66455314
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCOc1cccc(N2CCN(CC(C)(C)C(C)=O)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-14(20)17(2,3)13-18-8-10-19(11-9-18)15-6-5-7-16(12-15)21-4/h5-7,12H,8-11,13H2,1-4H3
InChIKeyNOPXTZREEOUSPL-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 62272663
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 114495326
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62271088
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one (CID 66455314) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one is COc1cccc(N2CCN(CC(C)(C)C(C)=O)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
The InChIKey is NOPXTZREEOUSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(20)17(2,3)13-18-8-10-19(11-9-18)15-6-5-7-16(12-15)21-4/h5-7,12H,8-11,13H2,1-4H3.
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one?
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 66455314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).