8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

C15H21N5 — CID 53324629

IUPAC8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESc1cc2nc3c(c(N4CCCCC4)n2n1)CCNCC3
InChIInChI=1S/C15H21N5/c1-2-10-19(11-3-1)15-12-4-7-16-8-5-13(12)18-14-6-9-17-20(14)15/h6,9,16H,1-5,7-8,10-11H2
InChIKeyUROKAICMVLKJBW-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.41
Rot. Bonds1

About 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (PubChem CID 53324629) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.

Molecular Properties

Compound Name8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
PubChem CID53324629
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESc1cc2nc3c(c(N4CCCCC4)n2n1)CCNCC3
InChIInChI=1S/C15H21N5/c1-2-10-19(11-3-1)15-12-4-7-16-8-5-13(12)18-14-6-9-17-20(14)15/h6,9,16H,1-5,7-8,10-11H2
InChIKeyUROKAICMVLKJBW-UHFFFAOYSA-N
XLogP1.41
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The IUPAC name of 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (CID 53324629) is 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.
What is the SMILES notation for 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The canonical SMILES for 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is c1cc2nc3c(c(N4CCCCC4)n2n1)CCNCC3.
What is the InChIKey of 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The InChIKey is UROKAICMVLKJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-10-19(11-3-1)15-12-4-7-16-8-5-13(12)18-14-6-9-17-20(14)15/h6,9,16H,1-5,7-8,10-11H2.
What are the key properties of 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene has a molecular weight of 271.37 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is sourced from PubChem (CID 53324629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).