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

C16H24N2O2 — CID 51980530

IUPAC1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCCN1CCN[C@@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-3-15(19)14-6-4-5-7-16(14)20-11-10-18-9-8-17-13(2)12-18/h4-7,13,17H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyMLFBEEPXDXFDKB-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.95
Rot. Bonds6

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

1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one (PubChem CID 51980530) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one
PubChem CID51980530
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCCN1CCN[C@@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-3-15(19)14-6-4-5-7-16(14)20-11-10-18-9-8-17-13(2)12-18/h4-7,13,17H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyMLFBEEPXDXFDKB-ZDUSSCGKSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
CID 7380349
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
1-[3-(2-bromophenoxy)propyl]-3-methylpiperazine;dihydrochloride
CID 170456446
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one
CID 2995994
2-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzoic acid
CID 113498440
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one (CID 51980530) is 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one is CCC(=O)c1ccccc1OCCN1CCN[C@@H](C)C1.
What is the InChIKey of 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one?
The InChIKey is MLFBEEPXDXFDKB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-15(19)14-6-4-5-7-16(14)20-11-10-18-9-8-17-13(2)12-18/h4-7,13,17H,3,8-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one?
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.95, 6 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]propan-1-one is sourced from PubChem (CID 51980530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).