(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C19H23N3O2 — CID 119946208

IUPAC(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c20-18-9-5-4-8-17(18)19(23)22-12-10-21(11-13-22)14-15-24-16-6-2-1-3-7-16/h1-9H,10-15,20H2
InChIKeyYOBXXTKPBHEHDP-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.11
Rot. Bonds5

About (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 119946208) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID119946208
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c20-18-9-5-4-8-17(18)19(23)22-12-10-21(11-13-22)14-15-24-16-6-2-1-3-7-16/h1-9H,10-15,20H2
InChIKeyYOBXXTKPBHEHDP-UHFFFAOYSA-N
XLogP2.11
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946209
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55826065
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
CID 35706233
2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide
CID 38858953
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 119946208) is (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is Nc1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is YOBXXTKPBHEHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-18-9-5-4-8-17(18)19(23)22-12-10-21(11-13-22)14-15-24-16-6-2-1-3-7-16/h1-9H,10-15,20H2.
What are the key properties of (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119946208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).