4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine

C13H17NO — CID 134314318

IUPAC4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine
SMILESC1=CC=CC=C(COC2CCNCC2)C=1
InChIInChI=1S/C13H17NO/c1-2-4-6-12(5-3-1)11-15-13-7-9-14-10-8-13/h1-3,5-6,13-14H,7-11H2
InChIKeyPQHVRNGUICVFCS-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.96
Rot. Bonds3

About 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine

4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine (PubChem CID 134314318) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine.

Molecular Properties

Compound Name4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine
PubChem CID134314318
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine
SMILESC1=CC=CC=C(COC2CCNCC2)C=1
InChIInChI=1S/C13H17NO/c1-2-4-6-12(5-3-1)11-15-13-7-9-14-10-8-13/h1-3,5-6,13-14H,7-11H2
InChIKeyPQHVRNGUICVFCS-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine?
The IUPAC name of 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine (CID 134314318) is 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine.
What is the SMILES notation for 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine?
The canonical SMILES for 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine is C1=CC=CC=C(COC2CCNCC2)C=1.
What is the InChIKey of 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine?
The InChIKey is PQHVRNGUICVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-4-6-12(5-3-1)11-15-13-7-9-14-10-8-13/h1-3,5-6,13-14H,7-11H2.
What are the key properties of 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine?
4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine has a molecular weight of 203.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)piperidine is sourced from PubChem (CID 134314318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).