4-(octacosoxymethyl)piperidine

C34H69NO — CID 11656379

IUPAC4-(octacosoxymethyl)piperidine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC1CCNCC1
InChIInChI=1S/C34H69NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-36-33-34-28-30-35-31-29-34/h34-35H,2-33H2,1H3
InChIKeyVJKYJQUTQPTTQA-UHFFFAOYSA-N
MW507.93 g/mol
LogP11.17
Rot. Bonds29

About 4-(octacosoxymethyl)piperidine

4-(octacosoxymethyl)piperidine (PubChem CID 11656379) has the molecular formula C34H69NO and a molecular weight of 507.93 g/mol. Its IUPAC name is 4-(octacosoxymethyl)piperidine.

Molecular Properties

Compound Name4-(octacosoxymethyl)piperidine
PubChem CID11656379
Molecular FormulaC34H69NO
Molecular Weight507.93 g/mol
Exact Mass507.54
IUPAC Name4-(octacosoxymethyl)piperidine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC1CCNCC1
InChIInChI=1S/C34H69NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-36-33-34-28-30-35-31-29-34/h34-35H,2-33H2,1H3
InChIKeyVJKYJQUTQPTTQA-UHFFFAOYSA-N
XLogP11.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.93
LogP ≤ 511.17
H-Bond Donors ≤ 51
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 4-(octacosoxymethyl)piperidine?
The IUPAC name of 4-(octacosoxymethyl)piperidine (CID 11656379) is 4-(octacosoxymethyl)piperidine.
What is the SMILES notation for 4-(octacosoxymethyl)piperidine?
The canonical SMILES for 4-(octacosoxymethyl)piperidine is CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC1CCNCC1.
What is the InChIKey of 4-(octacosoxymethyl)piperidine?
The InChIKey is VJKYJQUTQPTTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-36-33-34-28-30-35-31-29-34/h34-35H,2-33H2,1H3.
What are the key properties of 4-(octacosoxymethyl)piperidine?
4-(octacosoxymethyl)piperidine has a molecular weight of 507.93 g/mol, XLogP of 11.17, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octacosoxymethyl)piperidine is sourced from PubChem (CID 11656379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).