1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine

C15H21NO — CID 129142309

IUPAC1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine
SMILESC1=CC=CC=C(COCCN2CCCCC2)C=1
InChIInChI=1S/C15H21NO/c1-2-5-9-15(8-4-1)14-17-13-12-16-10-6-3-7-11-16/h1-2,4,8-9H,3,6-7,10-14H2
InChIKeyVKIWLGIVWJDWHR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.70
Rot. Bonds5

About 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine

1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine (PubChem CID 129142309) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine
PubChem CID129142309
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine
SMILESC1=CC=CC=C(COCCN2CCCCC2)C=1
InChIInChI=1S/C15H21NO/c1-2-5-9-15(8-4-1)14-17-13-12-16-10-6-3-7-11-16/h1-2,4,8-9H,3,6-7,10-14H2
InChIKeyVKIWLGIVWJDWHR-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.70
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-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine (CID 129142309) is 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine is C1=CC=CC=C(COCCN2CCCCC2)C=1.
What is the InChIKey of 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine?
The InChIKey is VKIWLGIVWJDWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-5-9-15(8-4-1)14-17-13-12-16-10-6-3-7-11-16/h1-2,4,8-9H,3,6-7,10-14H2.
What are the key properties of 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine?
1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine has a molecular weight of 231.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine is sourced from PubChem (CID 129142309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).