1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine

C17H19ClN4O3 — CID 17419305

IUPAC1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C17H19ClN4O3/c18-14-4-1-2-6-16(14)25-13-12-20-8-10-21(11-9-20)17-15(22(23)24)5-3-7-19-17/h1-7H,8-13H2
InChIKeyKGLBYFUQWLZTSV-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine

1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine (PubChem CID 17419305) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine
PubChem CID17419305
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C17H19ClN4O3/c18-14-4-1-2-6-16(14)25-13-12-20-8-10-21(11-9-20)17-15(22(23)24)5-3-7-19-17/h1-7H,8-13H2
InChIKeyKGLBYFUQWLZTSV-UHFFFAOYSA-N
XLogP2.84
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 35957748
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 33324353
3-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 43522294
1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 165448313
N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 167898519
1-[(2-fluorophenyl)methyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 9109597
1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 95309066
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 26449184
(2-amino-5-fluoro-3-nitrophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 55973500
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
1-(chloromethylsulfonyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 63664883
1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 133313594

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine (CID 17419305) is 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine is O=[N+]([O-])c1cccnc1N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine?
The InChIKey is KGLBYFUQWLZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c18-14-4-1-2-6-16(14)25-13-12-20-8-10-21(11-9-20)17-15(22(23)24)5-3-7-19-17/h1-7H,8-13H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine?
1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine has a molecular weight of 362.82 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 17419305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).