1-(6-heptyl-2-pyridinyl)piperazine

C16H27N3 — CID 14570959

IUPAC1-(6-heptyl-2-pyridinyl)piperazine
SMILESCCCCCCCc1cccc(N2CCNCC2)n1
InChIInChI=1S/C16H27N3/c1-2-3-4-5-6-8-15-9-7-10-16(18-15)19-13-11-17-12-14-19/h7,9-10,17H,2-6,8,11-14H2,1H3
InChIKeyWLEGURJZOPKGFU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.00
Rot. Bonds7

About 1-(6-heptyl-2-pyridinyl)piperazine

1-(6-heptyl-2-pyridinyl)piperazine (PubChem CID 14570959) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(6-heptyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(6-heptyl-2-pyridinyl)piperazine
PubChem CID14570959
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(6-heptyl-2-pyridinyl)piperazine
SMILESCCCCCCCc1cccc(N2CCNCC2)n1
InChIInChI=1S/C16H27N3/c1-2-3-4-5-6-8-15-9-7-10-16(18-15)19-13-11-17-12-14-19/h7,9-10,17H,2-6,8,11-14H2,1H3
InChIKeyWLEGURJZOPKGFU-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.00
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-heptyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(6-heptyl-2-pyridinyl)piperazine (CID 14570959) is 1-(6-heptyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(6-heptyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(6-heptyl-2-pyridinyl)piperazine is CCCCCCCc1cccc(N2CCNCC2)n1.
What is the InChIKey of 1-(6-heptyl-2-pyridinyl)piperazine?
The InChIKey is WLEGURJZOPKGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-3-4-5-6-8-15-9-7-10-16(18-15)19-13-11-17-12-14-19/h7,9-10,17H,2-6,8,11-14H2,1H3.
What are the key properties of 1-(6-heptyl-2-pyridinyl)piperazine?
1-(6-heptyl-2-pyridinyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-heptyl-2-pyridinyl)piperazine is sourced from PubChem (CID 14570959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).