4-cyclohepta-2,4,6-trien-1-ylpiperidine

C12H17N — CID 163709485

IUPAC4-cyclohepta-2,4,6-trien-1-ylpiperidine
SMILESC1=CC=CC(C2CCNCC2)C=C1
InChIInChI=1S/C12H17N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h1-6,11-13H,7-10H2
InChIKeyKHXYYJFLKNDTTM-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.28
Rot. Bonds1

About 4-cyclohepta-2,4,6-trien-1-ylpiperidine

4-cyclohepta-2,4,6-trien-1-ylpiperidine (PubChem CID 163709485) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-cyclohepta-2,4,6-trien-1-ylpiperidine.

Molecular Properties

Compound Name4-cyclohepta-2,4,6-trien-1-ylpiperidine
PubChem CID163709485
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4-cyclohepta-2,4,6-trien-1-ylpiperidine
SMILESC1=CC=CC(C2CCNCC2)C=C1
InChIInChI=1S/C12H17N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h1-6,11-13H,7-10H2
InChIKeyKHXYYJFLKNDTTM-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-2,4,6-trien-1-ylpiperidine?
The IUPAC name of 4-cyclohepta-2,4,6-trien-1-ylpiperidine (CID 163709485) is 4-cyclohepta-2,4,6-trien-1-ylpiperidine.
What is the SMILES notation for 4-cyclohepta-2,4,6-trien-1-ylpiperidine?
The canonical SMILES for 4-cyclohepta-2,4,6-trien-1-ylpiperidine is C1=CC=CC(C2CCNCC2)C=C1.
What is the InChIKey of 4-cyclohepta-2,4,6-trien-1-ylpiperidine?
The InChIKey is KHXYYJFLKNDTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h1-6,11-13H,7-10H2.
What are the key properties of 4-cyclohepta-2,4,6-trien-1-ylpiperidine?
4-cyclohepta-2,4,6-trien-1-ylpiperidine has a molecular weight of 175.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-2,4,6-trien-1-ylpiperidine is sourced from PubChem (CID 163709485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).