bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine

C19H29NO — CID 23339513

IUPACbicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine
SMILESC1CCC(OCCC2CCCCN2)CC1.c1cc2ccc1=2
InChIInChI=1S/C13H25NO.C6H4/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12;1-2-6-4-3-5(1)6/h12-14H,1-11H2;1-4H
InChIKeyFKYNLYHBSYLOSX-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.15
Rot. Bonds4

About bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine

bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine (PubChem CID 23339513) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine
PubChem CID23339513
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Namebicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine
SMILESC1CCC(OCCC2CCCCN2)CC1.c1cc2ccc1=2
InChIInChI=1S/C13H25NO.C6H4/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12;1-2-6-4-3-5(1)6/h12-14H,1-11H2;1-4H
InChIKeyFKYNLYHBSYLOSX-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
2-(cyclohexyloxymethyl)piperidine
CID 24699703
2-[2-(2-methylcyclohexyl)oxyethyl]piperidine
CID 43149941
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
3-(2-piperidin-2-ylethoxy)azepan-2-one
CID 106937963
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-(2-phenylsulfanylethyl)azepane
CID 79223210
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine?
The IUPAC name of bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine (CID 23339513) is bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine?
The canonical SMILES for bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine is C1CCC(OCCC2CCCCN2)CC1.c1cc2ccc1=2.
What is the InChIKey of bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine?
The InChIKey is FKYNLYHBSYLOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C6H4/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12;1-2-6-4-3-5(1)6/h12-14H,1-11H2;1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine?
bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine has a molecular weight of 287.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine is sourced from PubChem (CID 23339513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).