4-(cyclooctatetraenyloxy)piperidine

C13H17NO — CID 129294523

IUPAC4-(cyclooctatetraenyloxy)piperidine
SMILESC1=C\C=C/C(OC2CCNCC2)=C\C=C/1
InChIInChI=1S/C13H17NO/c1-2-4-6-12(7-5-3-1)15-13-8-10-14-11-9-13/h1-7,13-14H,8-11H2/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,12-6+,12-7+
InChIKeyNVYMAQWIQYQXFH-CUSANBRASA-N
MW203.29 g/mol
LogP2.32
Rot. Bonds2

About 4-(cyclooctatetraenyloxy)piperidine

4-(cyclooctatetraenyloxy)piperidine (PubChem CID 129294523) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(cyclooctatetraenyloxy)piperidine.

Molecular Properties

Compound Name4-(cyclooctatetraenyloxy)piperidine
PubChem CID129294523
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-(cyclooctatetraenyloxy)piperidine
SMILESC1=C\C=C/C(OC2CCNCC2)=C\C=C/1
InChIInChI=1S/C13H17NO/c1-2-4-6-12(7-5-3-1)15-13-8-10-14-11-9-13/h1-7,13-14H,8-11H2/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,12-6+,12-7+
InChIKeyNVYMAQWIQYQXFH-CUSANBRASA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctatetraenyloxy)piperidine?
The IUPAC name of 4-(cyclooctatetraenyloxy)piperidine (CID 129294523) is 4-(cyclooctatetraenyloxy)piperidine.
What is the SMILES notation for 4-(cyclooctatetraenyloxy)piperidine?
The canonical SMILES for 4-(cyclooctatetraenyloxy)piperidine is C1=C\C=C/C(OC2CCNCC2)=C\C=C/1.
What is the InChIKey of 4-(cyclooctatetraenyloxy)piperidine?
The InChIKey is NVYMAQWIQYQXFH-CUSANBRASA-N. The full InChI is InChI=1S/C13H17NO/c1-2-4-6-12(7-5-3-1)15-13-8-10-14-11-9-13/h1-7,13-14H,8-11H2/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,12-6+,12-7+.
What are the key properties of 4-(cyclooctatetraenyloxy)piperidine?
4-(cyclooctatetraenyloxy)piperidine has a molecular weight of 203.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctatetraenyloxy)piperidine is sourced from PubChem (CID 129294523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).