4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride

C15H20ClN3O2 — CID 118526836

IUPAC4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
SMILESO=C(Cl)N1CCN(c2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-15(20)19-7-5-17(6-8-19)13-3-1-2-4-14(13)18-9-11-21-12-10-18/h1-4H,5-12H2
InChIKeySFVYBBMLESXDGL-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.00
Rot. Bonds2

About 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride

4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride (PubChem CID 118526836) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride.

Molecular Properties

Compound Name4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
PubChem CID118526836
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
SMILESO=C(Cl)N1CCN(c2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-15(20)19-7-5-17(6-8-19)13-3-1-2-4-14(13)18-9-11-21-12-10-18/h1-4H,5-12H2
InChIKeySFVYBBMLESXDGL-UHFFFAOYSA-N
XLogP2.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
CID 113079086
2-(4-chlorophenyl)-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethanone
CID 113079110
N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111814
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187329
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
2-morpholin-4-ylbenzohydrazide
CID 7148386
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108527539

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride?
The IUPAC name of 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride (CID 118526836) is 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride.
What is the SMILES notation for 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride?
The canonical SMILES for 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride is O=C(Cl)N1CCN(c2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride?
The InChIKey is SFVYBBMLESXDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-15(20)19-7-5-17(6-8-19)13-3-1-2-4-14(13)18-9-11-21-12-10-18/h1-4H,5-12H2.
What are the key properties of 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride?
4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride has a molecular weight of 309.80 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride is sourced from PubChem (CID 118526836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).