4-cyclohexa-2,4-dien-1-yloxypiperidine

C11H17NO — CID 139334582

IUPAC4-cyclohexa-2,4-dien-1-yloxypiperidine
SMILESC1=CCC(OC2CCNCC2)C=C1
InChIInChI=1S/C11H17NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-4,10-12H,5-9H2
InChIKeyRRTQVBYPJMIQMY-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.64
Rot. Bonds2

About 4-cyclohexa-2,4-dien-1-yloxypiperidine

4-cyclohexa-2,4-dien-1-yloxypiperidine (PubChem CID 139334582) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yloxypiperidine.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yloxypiperidine
PubChem CID139334582
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-cyclohexa-2,4-dien-1-yloxypiperidine
SMILESC1=CCC(OC2CCNCC2)C=C1
InChIInChI=1S/C11H17NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-4,10-12H,5-9H2
InChIKeyRRTQVBYPJMIQMY-UHFFFAOYSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxypiperidine
CID 89672767
4-[[4-Fluoro-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 140229680
4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
CID 142380154
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
CID 164543507
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine
CID 142380155
4-[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 162578474
1-Oxa-9-azaspiro[5.5]undec-3-ene
CID 21955259
4-(Phenylmethoxy)piperidin-4-ide;yttrium
CID 57643063
(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine
CID 58451778

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yloxypiperidine?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yloxypiperidine (CID 139334582) is 4-cyclohexa-2,4-dien-1-yloxypiperidine.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yloxypiperidine?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yloxypiperidine is C1=CCC(OC2CCNCC2)C=C1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yloxypiperidine?
The InChIKey is RRTQVBYPJMIQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-4,10-12H,5-9H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-yloxypiperidine?
4-cyclohexa-2,4-dien-1-yloxypiperidine has a molecular weight of 179.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yloxypiperidine is sourced from PubChem (CID 139334582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).