1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one

C15H22N2O2 — CID 43227288

IUPAC1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12(17-10-8-16(2)9-11-17)15(18)13-4-6-14(19-3)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyKCSPIPIXWQGGIX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.51
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one

1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 43227288) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID43227288
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12(17-10-8-16(2)9-11-17)15(18)13-4-6-14(19-3)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyKCSPIPIXWQGGIX-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 63158465
2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 115965576
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one (CID 43227288) is 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one is COc1ccc(C(=O)C(C)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is KCSPIPIXWQGGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(17-10-8-16(2)9-11-17)15(18)13-4-6-14(19-3)7-5-13/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one?
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 43227288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).