6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene

C14H16N4 — CID 91510263

IUPAC6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene
SMILESC1=Nc2nccc3c2=C1CN(C1CCNCC1)C=3
InChIInChI=1S/C14H16N4/c1-6-16-14-13-10(1)8-18(9-11(13)7-17-14)12-2-4-15-5-3-12/h1,6-8,12,15H,2-5,9H2
InChIKeyDUHNWOAJOMYVPO-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.25
Rot. Bonds1

About 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene

6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene (PubChem CID 91510263) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene.

Molecular Properties

Compound Name6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene
PubChem CID91510263
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene
SMILESC1=Nc2nccc3c2=C1CN(C1CCNCC1)C=3
InChIInChI=1S/C14H16N4/c1-6-16-14-13-10(1)8-18(9-11(13)7-17-14)12-2-4-15-5-3-12/h1,6-8,12,15H,2-5,9H2
InChIKeyDUHNWOAJOMYVPO-UHFFFAOYSA-N
XLogP-0.25
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene?
The IUPAC name of 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene (CID 91510263) is 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene.
What is the SMILES notation for 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene?
The canonical SMILES for 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene is C1=Nc2nccc3c2=C1CN(C1CCNCC1)C=3.
What is the InChIKey of 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene?
The InChIKey is DUHNWOAJOMYVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-6-16-14-13-10(1)8-18(9-11(13)7-17-14)12-2-4-15-5-3-12/h1,6-8,12,15H,2-5,9H2.
What are the key properties of 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene?
6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene has a molecular weight of 240.31 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene is sourced from PubChem (CID 91510263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).