1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine

C15H19NO — CID 21283386

IUPAC1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
SMILESCOc1ccc2c(c1)=C(CN1CCCCC1)C=2
InChIInChI=1S/C15H19NO/c1-17-14-6-5-12-9-13(15(12)10-14)11-16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeySGUHKPXHFGJTFE-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.13
Rot. Bonds3

About 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine

1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine (PubChem CID 21283386) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
PubChem CID21283386
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
SMILESCOc1ccc2c(c1)=C(CN1CCCCC1)C=2
InChIInChI=1S/C15H19NO/c1-17-14-6-5-12-9-13(15(12)10-14)11-16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeySGUHKPXHFGJTFE-UHFFFAOYSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine?
The IUPAC name of 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine (CID 21283386) is 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine.
What is the SMILES notation for 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine?
The canonical SMILES for 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine is COc1ccc2c(c1)=C(CN1CCCCC1)C=2.
What is the InChIKey of 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine?
The InChIKey is SGUHKPXHFGJTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-17-14-6-5-12-9-13(15(12)10-14)11-16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine?
1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine has a molecular weight of 229.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine is sourced from PubChem (CID 21283386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).