1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine

C19H23ClN2O — CID 57396571

IUPAC1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine
SMILESClc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
InChIKeyDFNAAFSXZVGDBJ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine

1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine (PubChem CID 57396571) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine
PubChem CID57396571
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine
SMILESClc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
InChIKeyDFNAAFSXZVGDBJ-UHFFFAOYSA-N
XLogP3.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine (CID 57396571) is 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine is Clc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine?
The InChIKey is DFNAAFSXZVGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2.
What are the key properties of 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine?
1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine has a molecular weight of 330.86 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(3-phenoxypropyl)piperazine is sourced from PubChem (CID 57396571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).