[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone

C19H21ClN2O2 — CID 58347598

IUPAC[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(OCCc2cccc(Cl)c2)c1)N1CCNCC1
InChIInChI=1S/C19H21ClN2O2/c20-17-5-1-3-15(13-17)7-12-24-18-6-2-4-16(14-18)19(23)22-10-8-21-9-11-22/h1-6,13-14,21H,7-12H2
InChIKeyYXYNASIJKUMLNI-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.01
Rot. Bonds5

About [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone

[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone (PubChem CID 58347598) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone
PubChem CID58347598
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(OCCc2cccc(Cl)c2)c1)N1CCNCC1
InChIInChI=1S/C19H21ClN2O2/c20-17-5-1-3-15(13-17)7-12-24-18-6-2-4-16(14-18)19(23)22-10-8-21-9-11-22/h1-6,13-14,21H,7-12H2
InChIKeyYXYNASIJKUMLNI-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051
[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576539
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
[3-[(3-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635191
[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401906
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
2-(4-chlorophenyl)-1-[4-(3-propoxybenzoyl)piperazin-1-yl]ethanone
CID 78891079
tert-butyl formate;(3-chlorophenyl)-piperazin-1-ylmethanone
CID 174747134
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 78845795
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-phenylethoxy)phenyl]methanone
CID 125448030

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone (CID 58347598) is [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone is O=C(c1cccc(OCCc2cccc(Cl)c2)c1)N1CCNCC1.
What is the InChIKey of [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone?
The InChIKey is YXYNASIJKUMLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-5-1-3-15(13-17)7-12-24-18-6-2-4-16(14-18)19(23)22-10-8-21-9-11-22/h1-6,13-14,21H,7-12H2.
What are the key properties of [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone?
[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone has a molecular weight of 344.84 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 58347598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).