[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone

C19H21ClN2O2 — CID 844183

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-2-24-18-6-4-3-5-17(18)19(23)22-13-11-21(12-14-22)16-9-7-15(20)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyFLUBXBDXTFTJJP-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.70
Rot. Bonds4

About [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone (PubChem CID 844183) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
PubChem CID844183
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-2-24-18-6-4-3-5-17(18)19(23)22-13-11-21(12-14-22)16-9-7-15(20)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyFLUBXBDXTFTJJP-UHFFFAOYSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine
CID 142954737
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone
CID 95754602
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone (CID 844183) is [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The InChIKey is FLUBXBDXTFTJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-24-18-6-4-3-5-17(18)19(23)22-13-11-21(12-14-22)16-9-7-15(20)8-10-16/h3-10H,2,11-14H2,1H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone has a molecular weight of 344.84 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 844183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).