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

C19H22ClN3O2 — CID 119946345

IUPAC(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-6-2-4-8-18(16)25-14-13-22-9-11-23(12-10-22)19(24)15-5-1-3-7-17(15)21/h1-8H,9-14,21H2
InChIKeyZXEDMRNFDIKYGW-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.76
Rot. Bonds5

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

(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 119946345) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID119946345
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-6-2-4-8-18(16)25-14-13-22-9-11-23(12-10-22)19(24)15-5-1-3-7-17(15)21/h1-8H,9-14,21H2
InChIKeyZXEDMRNFDIKYGW-UHFFFAOYSA-N
XLogP2.76
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.76
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-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946209
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 33324353
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
(2-amino-5-fluoro-3-nitrophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 55973500
(5-bromo-3-methylfuran-2-yl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 55776048
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
(2S)-2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119839329
2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119839292
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone (CID 119946345) is (2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone is Nc1ccccc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of (2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is ZXEDMRNFDIKYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-6-2-4-8-18(16)25-14-13-22-9-11-23(12-10-22)19(24)15-5-1-3-7-17(15)21/h1-8H,9-14,21H2.
What are the key properties of (2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone?
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 359.86 g/mol, XLogP of 2.76, 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-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119946345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).