[4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone

C19H21ClN2O2 — CID 871395

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-2-24-18-9-4-3-8-17(18)19(23)22-12-10-21(11-13-22)16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3
InChIKeyUTBDVNWZTNDVJV-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.70
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone (PubChem CID 871395) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
PubChem CID871395
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-2-24-18-9-4-3-8-17(18)19(23)22-12-10-21(11-13-22)16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3
InChIKeyUTBDVNWZTNDVJV-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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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone (CID 871395) is [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The InChIKey is UTBDVNWZTNDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-24-18-9-4-3-8-17(18)19(23)22-12-10-21(11-13-22)16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
[4-(3-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-(3-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 871395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).