1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone

C20H24N2O2 — CID 39201900

IUPAC1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-17(23)18-7-9-20(10-8-18)24-16-15-21-11-13-22(14-12-21)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyRMIFJRFHJDCPSL-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.09
Rot. Bonds6

About 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone

1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone (PubChem CID 39201900) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
PubChem CID39201900
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-17(23)18-7-9-20(10-8-18)24-16-15-21-11-13-22(14-12-21)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyRMIFJRFHJDCPSL-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenyl]ethanone
CID 8591809
N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7891748
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
CID 11404189
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
(2S)-1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12941066
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone (CID 39201900) is 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone is CC(=O)c1ccc(OCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is RMIFJRFHJDCPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-17(23)18-7-9-20(10-8-18)24-16-15-21-11-13-22(14-12-21)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3.
What are the key properties of 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone?
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 39201900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).