5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C16H22N2 — CID 44825883

IUPAC5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESc1cc2c(cc1N1CCCCC1)C1CC2CCN1
InChIInChI=1S/C16H22N2/c1-2-8-18(9-3-1)13-4-5-14-12-6-7-17-16(10-12)15(14)11-13/h4-5,11-12,16-17H,1-3,6-10H2
InChIKeyXJEXKGPXFPGEGG-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.20
Rot. Bonds1

About 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 44825883) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID44825883
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESc1cc2c(cc1N1CCCCC1)C1CC2CCN1
InChIInChI=1S/C16H22N2/c1-2-8-18(9-3-1)13-4-5-14-12-6-7-17-16(10-12)15(14)11-13/h4-5,11-12,16-17H,1-3,6-10H2
InChIKeyXJEXKGPXFPGEGG-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 44825883) is 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is c1cc2c(cc1N1CCCCC1)C1CC2CCN1.
What is the InChIKey of 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is XJEXKGPXFPGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-8-18(9-3-1)13-4-5-14-12-6-7-17-16(10-12)15(14)11-13/h4-5,11-12,16-17H,1-3,6-10H2.
What are the key properties of 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 242.37 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 44825883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).