13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane

C16H23N3 — CID 11032543

IUPAC13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane
SMILESc1ccc(C23N4CCCN2CCCN3CCC4)cc1
InChIInChI=1S/C16H23N3/c1-2-7-15(8-3-1)16-17-9-4-10-18(16)12-6-14-19(16)13-5-11-17/h1-3,7-8H,4-6,9-14H2
InChIKeyYTKYJJLBJBUBOV-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.91
Rot. Bonds1

About 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane

13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane (PubChem CID 11032543) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane.

Molecular Properties

Compound Name13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane
PubChem CID11032543
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane
SMILESc1ccc(C23N4CCCN2CCCN3CCC4)cc1
InChIInChI=1S/C16H23N3/c1-2-7-15(8-3-1)16-17-9-4-10-18(16)12-6-14-19(16)13-5-11-17/h1-3,7-8H,4-6,9-14H2
InChIKeyYTKYJJLBJBUBOV-UHFFFAOYSA-N
XLogP1.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-phenyloxetan-3-yl)piperidine
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2-phenyl-2-piperidin-1-ylindene-1,3-dione
CID 2849345
1-(1,2-diphenylcyclopropyl)piperidine
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CID 71328944
13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
CID 101250182
1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide
CID 175104910
(S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine
CID 129386988
1-[1-(4-phenylphenyl)cyclohexyl]piperidine
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CID 89041610
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
CID 138398579

Frequently Asked Questions

What is the IUPAC name of 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane?
The IUPAC name of 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane (CID 11032543) is 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane.
What is the SMILES notation for 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane?
The canonical SMILES for 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane is c1ccc(C23N4CCCN2CCCN3CCC4)cc1.
What is the InChIKey of 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane?
The InChIKey is YTKYJJLBJBUBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-7-15(8-3-1)16-17-9-4-10-18(16)12-6-14-19(16)13-5-11-17/h1-3,7-8H,4-6,9-14H2.
What are the key properties of 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane?
13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane has a molecular weight of 257.38 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-1,5,9-triazatricyclo[7.3.1.05,13]tridecane is sourced from PubChem (CID 11032543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).