7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C17H24N2 — CID 116993221

IUPAC7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESc1c(C2CCCNC2)cc2c3c1CCCN3CCC2
InChIInChI=1S/C17H24N2/c1-4-15(12-18-7-1)16-10-13-5-2-8-19-9-3-6-14(11-16)17(13)19/h10-11,15,18H,1-9,12H2
InChIKeyDBESMCNAFHRRFZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.85
Rot. Bonds1

About 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 116993221) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID116993221
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESc1c(C2CCCNC2)cc2c3c1CCCN3CCC2
InChIInChI=1S/C17H24N2/c1-4-15(12-18-7-1)16-10-13-5-2-8-19-9-3-6-14(11-16)17(13)19/h10-11,15,18H,1-9,12H2
InChIKeyDBESMCNAFHRRFZ-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 116993219
6-piperidin-3-yl-1,2,3,4-tetrahydroquinoline
CID 83392528
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide
CID 21161176
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
CID 117444808
2-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydroindolizin-3-amine
CID 98111976
7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 70876138
3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
3-(3-chloro-5-iodophenyl)piperidine
CID 130001229

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 116993221) is 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is c1c(C2CCCNC2)cc2c3c1CCCN3CCC2.
What is the InChIKey of 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is DBESMCNAFHRRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-15(12-18-7-1)16-10-13-5-2-8-19-9-3-6-14(11-16)17(13)19/h10-11,15,18H,1-9,12H2.
What are the key properties of 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 256.39 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 116993221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).