1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine

C19H22ClN3O3 — CID 3069159

IUPAC1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine
SMILESO=[N+]([O-])c1ccccc1OCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O3/c20-16-6-1-2-7-17(16)22-13-11-21(12-14-22)10-5-15-26-19-9-4-3-8-18(19)23(24)25/h1-4,6-9H,5,10-15H2
InChIKeyRPMPXBGLLHHAAS-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.84
Rot. Bonds7

About 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine

1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine (PubChem CID 3069159) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine
PubChem CID3069159
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine
SMILESO=[N+]([O-])c1ccccc1OCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O3/c20-16-6-1-2-7-17(16)22-13-11-21(12-14-22)10-5-15-26-19-9-4-3-8-18(19)23(24)25/h1-4,6-9H,5,10-15H2
InChIKeyRPMPXBGLLHHAAS-UHFFFAOYSA-N
XLogP3.84
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine (CID 3069159) is 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine is O=[N+]([O-])c1ccccc1OCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine?
The InChIKey is RPMPXBGLLHHAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-16-6-1-2-7-17(16)22-13-11-21(12-14-22)10-5-15-26-19-9-4-3-8-18(19)23(24)25/h1-4,6-9H,5,10-15H2.
What are the key properties of 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine?
1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine has a molecular weight of 375.86 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine is sourced from PubChem (CID 3069159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).