[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

C19H22ClN3O2 — CID 50880133

IUPAC[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-2-25-15-8-6-14(7-9-15)19(24)23-12-10-22(11-13-23)18-16(20)4-3-5-17(18)21/h3-9H,2,10-13,21H2,1H3
InChIKeyMISISDLKOULASA-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.28
Rot. Bonds4

About [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 50880133) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID50880133
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-2-25-15-8-6-14(7-9-15)19(24)23-12-10-22(11-13-23)18-16(20)4-3-5-17(18)21/h3-9H,2,10-13,21H2,1H3
InChIKeyMISISDLKOULASA-UHFFFAOYSA-N
XLogP3.28
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.28
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

[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 50882847
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 7539538
4-butoxy-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17066222
1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 50896111
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108545969
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (CID 50880133) is [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1.
What is the InChIKey of [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is MISISDLKOULASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-2-25-15-8-6-14(7-9-15)19(24)23-12-10-22(11-13-23)18-16(20)4-3-5-17(18)21/h3-9H,2,10-13,21H2,1H3.
What are the key properties of [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 359.86 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 50880133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).