1-(3-chlorophenyl)-4-octylpiperazine

C18H29ClN2 — CID 14960355

IUPAC1-(3-chlorophenyl)-4-octylpiperazine
SMILESCCCCCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H29ClN2/c1-2-3-4-5-6-7-11-20-12-14-21(15-13-20)18-10-8-9-17(19)16-18/h8-10,16H,2-7,11-15H2,1H3
InChIKeyKZRXIOLUOMCCGY-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.82
Rot. Bonds8

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

1-(3-chlorophenyl)-4-octylpiperazine (PubChem CID 14960355) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-octylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-octylpiperazine
PubChem CID14960355
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(3-chlorophenyl)-4-octylpiperazine
SMILESCCCCCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H29ClN2/c1-2-3-4-5-6-7-11-20-12-14-21(15-13-20)18-10-8-9-17(19)16-18/h8-10,16H,2-7,11-15H2,1H3
InChIKeyKZRXIOLUOMCCGY-UHFFFAOYSA-N
XLogP4.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.82
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-octylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-octylpiperazine (CID 14960355) is 1-(3-chlorophenyl)-4-octylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-octylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-octylpiperazine is CCCCCCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-octylpiperazine?
The InChIKey is KZRXIOLUOMCCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-2-3-4-5-6-7-11-20-12-14-21(15-13-20)18-10-8-9-17(19)16-18/h8-10,16H,2-7,11-15H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-octylpiperazine?
1-(3-chlorophenyl)-4-octylpiperazine has a molecular weight of 308.90 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-octylpiperazine is sourced from PubChem (CID 14960355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).