3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine

C16H19N5 — CID 70942510

IUPAC3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
SMILESNc1ncc2[nH]c3ncccc3c2c1CC1CCNCC1
InChIInChI=1S/C16H19N5/c17-15-12(8-10-3-6-18-7-4-10)14-11-2-1-5-19-16(11)21-13(14)9-20-15/h1-2,5,9-10,18H,3-4,6-8H2,(H2,17,20)(H,19,21)
InChIKeyZBFCISBWUYLICV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.24
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine

3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine (PubChem CID 70942510) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
PubChem CID70942510
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
SMILESNc1ncc2[nH]c3ncccc3c2c1CC1CCNCC1
InChIInChI=1S/C16H19N5/c17-15-12(8-10-3-6-18-7-4-10)14-11-2-1-5-19-16(11)21-13(14)9-20-15/h1-2,5,9-10,18H,3-4,6-8H2,(H2,17,20)(H,19,21)
InChIKeyZBFCISBWUYLICV-UHFFFAOYSA-N
XLogP2.24
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The IUPAC name of 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine (CID 70942510) is 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The canonical SMILES for 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine is Nc1ncc2[nH]c3ncccc3c2c1CC1CCNCC1.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The InChIKey is ZBFCISBWUYLICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c17-15-12(8-10-3-6-18-7-4-10)14-11-2-1-5-19-16(11)21-13(14)9-20-15/h1-2,5,9-10,18H,3-4,6-8H2,(H2,17,20)(H,19,21).
What are the key properties of 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine is sourced from PubChem (CID 70942510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).