2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene

C15H17BrN2 — CID 84644817

IUPAC2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
SMILESBrc1c(C2CCNCC2)n2c3c(cccc13)CC2
InChIInChI=1S/C15H17BrN2/c16-13-12-3-1-2-10-6-9-18(14(10)12)15(13)11-4-7-17-8-5-11/h1-3,11,17H,4-9H2
InChIKeyRLGUPOQGHMGDSM-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.43
Rot. Bonds1

About 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene

2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene (PubChem CID 84644817) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene.

Molecular Properties

Compound Name2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
PubChem CID84644817
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
SMILESBrc1c(C2CCNCC2)n2c3c(cccc13)CC2
InChIInChI=1S/C15H17BrN2/c16-13-12-3-1-2-10-6-9-18(14(10)12)15(13)11-4-7-17-8-5-11/h1-3,11,17H,4-9H2
InChIKeyRLGUPOQGHMGDSM-UHFFFAOYSA-N
XLogP3.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole
CID 84646062
2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 84621734
3-methyl-2-(piperazin-1-ylmethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 84635796
2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
CID 172829454
2,3-dimethyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 598481
1,3,7-trimethyl-2-piperidin-4-ylindole
CID 84630479
3-bromo-5-tert-butyl-1-methyl-2-piperidin-4-ylindole
CID 84646915
2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 58777938
3-bromo-4-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
CID 54687818
1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine
CID 84629848
1,3-dimethyl-2-piperidin-4-ylindole
CID 84625558
2-methyl-3-(piperidin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84640982

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene?
The IUPAC name of 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene (CID 84644817) is 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene.
What is the SMILES notation for 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene?
The canonical SMILES for 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene is Brc1c(C2CCNCC2)n2c3c(cccc13)CC2.
What is the InChIKey of 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene?
The InChIKey is RLGUPOQGHMGDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-13-12-3-1-2-10-6-9-18(14(10)12)15(13)11-4-7-17-8-5-11/h1-3,11,17H,4-9H2.
What are the key properties of 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene?
2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene has a molecular weight of 305.22 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene is sourced from PubChem (CID 84644817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).