1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine

C14H16N6 — CID 137150274

IUPAC1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
SMILESNC1CCCN(c2cc[nH]c3nnc4nccc4c23)C1
InChIInChI=1S/C14H16N6/c15-9-2-1-7-20(8-9)11-4-6-17-14-12(11)10-3-5-16-13(10)18-19-14/h3-6,9H,1-2,7-8,15H2,(H,17,19)
InChIKeyJZQNCUYDVRTJFQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.43
Rot. Bonds1

About 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine

1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine (PubChem CID 137150274) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
PubChem CID137150274
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
SMILESNC1CCCN(c2cc[nH]c3nnc4nccc4c23)C1
InChIInChI=1S/C14H16N6/c15-9-2-1-7-20(8-9)11-4-6-17-14-12(11)10-3-5-16-13(10)18-19-14/h3-6,9H,1-2,7-8,15H2,(H,17,19)
InChIKeyJZQNCUYDVRTJFQ-UHFFFAOYSA-N
XLogP1.43
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine?
The IUPAC name of 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine (CID 137150274) is 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine.
What is the SMILES notation for 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine?
The canonical SMILES for 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine is NC1CCCN(c2cc[nH]c3nnc4nccc4c23)C1.
What is the InChIKey of 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine?
The InChIKey is JZQNCUYDVRTJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c15-9-2-1-7-20(8-9)11-4-6-17-14-12(11)10-3-5-16-13(10)18-19-14/h3-6,9H,1-2,7-8,15H2,(H,17,19).
What are the key properties of 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine?
1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine has a molecular weight of 268.32 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine is sourced from PubChem (CID 137150274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).