1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine

C13H19NO — CID 171377231

IUPAC1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine
SMILESC1=CC=C(OCCN2CCCCC2)CC=1
InChIInChI=1S/C13H19NO/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14/h3-4,7H,2,5-6,8-12H2
InChIKeyVGHQEZXMVFJGTQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.49
Rot. Bonds4

About 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine

1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine (PubChem CID 171377231) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine.

Molecular Properties

Compound Name1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine
PubChem CID171377231
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine
SMILESC1=CC=C(OCCN2CCCCC2)CC=1
InChIInChI=1S/C13H19NO/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14/h3-4,7H,2,5-6,8-12H2
InChIKeyVGHQEZXMVFJGTQ-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine?
The IUPAC name of 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine (CID 171377231) is 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine.
What is the SMILES notation for 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine?
The canonical SMILES for 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine is C1=CC=C(OCCN2CCCCC2)CC=1.
What is the InChIKey of 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine?
The InChIKey is VGHQEZXMVFJGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14/h3-4,7H,2,5-6,8-12H2.
What are the key properties of 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine?
1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine has a molecular weight of 205.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine is sourced from PubChem (CID 171377231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).