1-(6-tridecan-7-yl-2-pyridinyl)piperazine

C22H39N3 — CID 14570971

IUPAC1-(6-tridecan-7-yl-2-pyridinyl)piperazine
SMILESCCCCCCC(CCCCCC)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C22H39N3/c1-3-5-7-9-12-20(13-10-8-6-4-2)21-14-11-15-22(24-21)25-18-16-23-17-19-25/h11,14-15,20,23H,3-10,12-13,16-19H2,1-2H3
InChIKeyGFGNNONQTKEYMQ-UHFFFAOYSA-N
MW345.58 g/mol
LogP5.52
Rot. Bonds12

About 1-(6-tridecan-7-yl-2-pyridinyl)piperazine

1-(6-tridecan-7-yl-2-pyridinyl)piperazine (PubChem CID 14570971) has the molecular formula C22H39N3 and a molecular weight of 345.58 g/mol. Its IUPAC name is 1-(6-tridecan-7-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(6-tridecan-7-yl-2-pyridinyl)piperazine
PubChem CID14570971
Molecular FormulaC22H39N3
Molecular Weight345.58 g/mol
Exact Mass345.31
IUPAC Name1-(6-tridecan-7-yl-2-pyridinyl)piperazine
SMILESCCCCCCC(CCCCCC)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C22H39N3/c1-3-5-7-9-12-20(13-10-8-6-4-2)21-14-11-15-22(24-21)25-18-16-23-17-19-25/h11,14-15,20,23H,3-10,12-13,16-19H2,1-2H3
InChIKeyGFGNNONQTKEYMQ-UHFFFAOYSA-N
XLogP5.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.58
LogP ≤ 55.52
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-tridecan-7-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-(6-tridecan-7-yl-2-pyridinyl)piperazine (CID 14570971) is 1-(6-tridecan-7-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(6-tridecan-7-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(6-tridecan-7-yl-2-pyridinyl)piperazine is CCCCCCC(CCCCCC)c1cccc(N2CCNCC2)n1.
What is the InChIKey of 1-(6-tridecan-7-yl-2-pyridinyl)piperazine?
The InChIKey is GFGNNONQTKEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3/c1-3-5-7-9-12-20(13-10-8-6-4-2)21-14-11-15-22(24-21)25-18-16-23-17-19-25/h11,14-15,20,23H,3-10,12-13,16-19H2,1-2H3.
What are the key properties of 1-(6-tridecan-7-yl-2-pyridinyl)piperazine?
1-(6-tridecan-7-yl-2-pyridinyl)piperazine has a molecular weight of 345.58 g/mol, XLogP of 5.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tridecan-7-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 14570971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).