1-(3-chlorophenyl)-4-pentylpiperazine

C15H23ClN2 — CID 14960350

IUPAC1-(3-chlorophenyl)-4-pentylpiperazine
SMILESCCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2/c1-2-3-4-8-17-9-11-18(12-10-17)15-7-5-6-14(16)13-15/h5-7,13H,2-4,8-12H2,1H3
InChIKeyUAZUOYAUJDOLHA-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-chlorophenyl)-4-pentylpiperazine

1-(3-chlorophenyl)-4-pentylpiperazine (PubChem CID 14960350) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-pentylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-pentylpiperazine
PubChem CID14960350
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(3-chlorophenyl)-4-pentylpiperazine
SMILESCCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2/c1-2-3-4-8-17-9-11-18(12-10-17)15-7-5-6-14(16)13-15/h5-7,13H,2-4,8-12H2,1H3
InChIKeyUAZUOYAUJDOLHA-UHFFFAOYSA-N
XLogP3.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-chlorophenyl)-4-pentylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-pentylpiperazine (CID 14960350) is 1-(3-chlorophenyl)-4-pentylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-pentylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-pentylpiperazine is CCCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-pentylpiperazine?
The InChIKey is UAZUOYAUJDOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-3-4-8-17-9-11-18(12-10-17)15-7-5-6-14(16)13-15/h5-7,13H,2-4,8-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-pentylpiperazine?
1-(3-chlorophenyl)-4-pentylpiperazine has a molecular weight of 266.82 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-pentylpiperazine is sourced from PubChem (CID 14960350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).