6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene

C16H26N4 — CID 140983538

IUPAC6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene
SMILESC1=CC2CN(CCC3CCNCC3)CC3CNC(=C1)N23
InChIInChI=1S/C16H26N4/c1-2-14-11-19(9-6-13-4-7-17-8-5-13)12-15-10-18-16(3-1)20(14)15/h1-3,13-15,17-18H,4-12H2
InChIKeyVDSZOYCEGACZMJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.75
Rot. Bonds3

About 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene

6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene (PubChem CID 140983538) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene.

Molecular Properties

Compound Name6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene
PubChem CID140983538
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene
SMILESC1=CC2CN(CCC3CCNCC3)CC3CNC(=C1)N23
InChIInChI=1S/C16H26N4/c1-2-14-11-19(9-6-13-4-7-17-8-5-13)12-15-10-18-16(3-1)20(14)15/h1-3,13-15,17-18H,4-12H2
InChIKeyVDSZOYCEGACZMJ-UHFFFAOYSA-N
XLogP0.75
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene?
The IUPAC name of 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene (CID 140983538) is 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene.
What is the SMILES notation for 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene?
The canonical SMILES for 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene is C1=CC2CN(CCC3CCNCC3)CC3CNC(=C1)N23.
What is the InChIKey of 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene?
The InChIKey is VDSZOYCEGACZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-14-11-19(9-6-13-4-7-17-8-5-13)12-15-10-18-16(3-1)20(14)15/h1-3,13-15,17-18H,4-12H2.
What are the key properties of 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene?
6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene has a molecular weight of 274.41 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-4-ylethyl)-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),9-diene is sourced from PubChem (CID 140983538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).