11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene

C16H20N4 — CID 11230971

IUPAC11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene
SMILESCn1ccc2c1CCn1ccnc1C2=C1CCNCC1
InChIInChI=1S/C16H20N4/c1-19-9-4-13-14(19)5-10-20-11-8-18-16(20)15(13)12-2-6-17-7-3-12/h4,8-9,11,17H,2-3,5-7,10H2,1H3
InChIKeySGFIBQBVOOVDSS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.96
Rot. Bonds

About 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene

11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene (PubChem CID 11230971) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene.

Molecular Properties

Compound Name11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene
PubChem CID11230971
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene
SMILESCn1ccc2c1CCn1ccnc1C2=C1CCNCC1
InChIInChI=1S/C16H20N4/c1-19-9-4-13-14(19)5-10-20-11-8-18-16(20)15(13)12-2-6-17-7-3-12/h4,8-9,11,17H,2-3,5-7,10H2,1H3
InChIKeySGFIBQBVOOVDSS-UHFFFAOYSA-N
XLogP1.96
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene?
The IUPAC name of 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene (CID 11230971) is 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene.
What is the SMILES notation for 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene?
The canonical SMILES for 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene is Cn1ccc2c1CCn1ccnc1C2=C1CCNCC1.
What is the InChIKey of 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene?
The InChIKey is SGFIBQBVOOVDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-19-9-4-13-14(19)5-10-20-11-8-18-16(20)15(13)12-2-6-17-7-3-12/h4,8-9,11,17H,2-3,5-7,10H2,1H3.
What are the key properties of 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene?
11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene has a molecular weight of 268.36 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2-piperidin-4-ylidene-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene is sourced from PubChem (CID 11230971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).