1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone

C15H22N2O — CID 117368603

IUPAC1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CCN2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-13(18)15-5-3-14(4-6-15)7-8-17-11-9-16(2)10-12-17/h3-6H,7-12H2,1-2H3
InChIKeyKUKKMMBIMQEZJJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.68
Rot. Bonds4

About 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone

1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone (PubChem CID 117368603) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
PubChem CID117368603
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CCN2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-13(18)15-5-3-14(4-6-15)7-8-17-11-9-16(2)10-12-17/h3-6H,7-12H2,1-2H3
InChIKeyKUKKMMBIMQEZJJ-UHFFFAOYSA-N
XLogP1.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
ethyl 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-oxoacetate
CID 117489749
1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
CID 87132038
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone
CID 22893126
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
CID 117487334
N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 143229247
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone (CID 117368603) is 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone is CC(=O)c1ccc(CCN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone?
The InChIKey is KUKKMMBIMQEZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(18)15-5-3-14(4-6-15)7-8-17-11-9-16(2)10-12-17/h3-6H,7-12H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone?
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone is sourced from PubChem (CID 117368603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).