10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene

C13H17N3 — CID 142247455

IUPAC10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene
SMILESC1=CC2CC23C(=C1)N=CN3C1CCNCC1
InChIInChI=1S/C13H17N3/c1-2-10-8-13(10)12(3-1)15-9-16(13)11-4-6-14-7-5-11/h1-3,9-11,14H,4-8H2
InChIKeySPFGWIIAUHFAPA-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.29
Rot. Bonds1

About 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene

10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene (PubChem CID 142247455) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene.

Molecular Properties

Compound Name10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene
PubChem CID142247455
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene
SMILESC1=CC2CC23C(=C1)N=CN3C1CCNCC1
InChIInChI=1S/C13H17N3/c1-2-10-8-13(10)12(3-1)15-9-16(13)11-4-6-14-7-5-11/h1-3,9-11,14H,4-8H2
InChIKeySPFGWIIAUHFAPA-UHFFFAOYSA-N
XLogP1.29
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene?
The IUPAC name of 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene (CID 142247455) is 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene.
What is the SMILES notation for 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene?
The canonical SMILES for 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene is C1=CC2CC23C(=C1)N=CN3C1CCNCC1.
What is the InChIKey of 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene?
The InChIKey is SPFGWIIAUHFAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-10-8-13(10)12(3-1)15-9-16(13)11-4-6-14-7-5-11/h1-3,9-11,14H,4-8H2.
What are the key properties of 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene?
10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene has a molecular weight of 215.30 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene is sourced from PubChem (CID 142247455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).