1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone

C15H22N2O2 — CID 104976918

IUPAC1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN1CCN[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-12-11-17(8-7-16-12)9-10-19-15-6-4-3-5-14(15)13(2)18/h3-6,12,16H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyDATYZBWRGCDUKQ-LBPRGKRZSA-N
MW262.35 g/mol
LogP1.56
Rot. Bonds5

About 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone

1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone (PubChem CID 104976918) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
PubChem CID104976918
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN1CCN[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-12-11-17(8-7-16-12)9-10-19-15-6-4-3-5-14(15)13(2)18/h3-6,12,16H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyDATYZBWRGCDUKQ-LBPRGKRZSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 51980530
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683751
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
1-[3-(2-bromophenoxy)propyl]-3-methylpiperazine;dihydrochloride
CID 170456446

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone (CID 104976918) is 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN1CCN[C@@H](C)C1.
What is the InChIKey of 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone?
The InChIKey is DATYZBWRGCDUKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-11-17(8-7-16-12)9-10-19-15-6-4-3-5-14(15)13(2)18/h3-6,12,16H,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone?
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone is sourced from PubChem (CID 104976918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).