1-[6-(4-octylphenyl)-2-pyridinyl]piperazine

C23H33N3 — CID 57390561

IUPAC1-[6-(4-octylphenyl)-2-pyridinyl]piperazine
SMILESCCCCCCCCc1ccc(-c2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C23H33N3/c1-2-3-4-5-6-7-9-20-12-14-21(15-13-20)22-10-8-11-23(25-22)26-18-16-24-17-19-26/h8,10-15,24H,2-7,9,16-19H2,1H3
InChIKeyJNVAVFCWJLIDCC-UHFFFAOYSA-N
MW351.54 g/mol
LogP5.06
Rot. Bonds9

About 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine

1-[6-(4-octylphenyl)-2-pyridinyl]piperazine (PubChem CID 57390561) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(4-octylphenyl)-2-pyridinyl]piperazine
PubChem CID57390561
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name1-[6-(4-octylphenyl)-2-pyridinyl]piperazine
SMILESCCCCCCCCc1ccc(-c2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C23H33N3/c1-2-3-4-5-6-7-9-20-12-14-21(15-13-20)22-10-8-11-23(25-22)26-18-16-24-17-19-26/h8,10-15,24H,2-7,9,16-19H2,1H3
InChIKeyJNVAVFCWJLIDCC-UHFFFAOYSA-N
XLogP5.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(4-heptylphenyl)pyridine
CID 18172851
1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
CID 53250560
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
CID 18172843
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
CID 91526476
2-fluoro-3-heptyl-6-[4-(4-heptylphenyl)phenyl]pyridine
CID 91063743
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine (CID 57390561) is 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine is CCCCCCCCc1ccc(-c2cccc(N3CCNCC3)n2)cc1.
What is the InChIKey of 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine?
The InChIKey is JNVAVFCWJLIDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3/c1-2-3-4-5-6-7-9-20-12-14-21(15-13-20)22-10-8-11-23(25-22)26-18-16-24-17-19-26/h8,10-15,24H,2-7,9,16-19H2,1H3.
What are the key properties of 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine?
1-[6-(4-octylphenyl)-2-pyridinyl]piperazine has a molecular weight of 351.54 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-octylphenyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 57390561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).