6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C19H17BrCl2N2 — CID 15452554

IUPAC6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESClc1cc(Cl)c2c(c1)CCc1cc(Br)cnc1C2=C1CCNCC1
InChIInChI=1S/C19H17BrCl2N2/c20-14-7-13-2-1-12-8-15(21)9-16(22)17(12)18(19(13)24-10-14)11-3-5-23-6-4-11/h7-10,23H,1-6H2
InChIKeyJQLPYQPWIRQKJE-UHFFFAOYSA-N
MW424.17 g/mol
LogP5.43
Rot. Bonds

About 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 15452554) has the molecular formula C19H17BrCl2N2 and a molecular weight of 424.17 g/mol. Its IUPAC name is 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID15452554
Molecular FormulaC19H17BrCl2N2
Molecular Weight424.17 g/mol
Exact Mass422.00
IUPAC Name6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESClc1cc(Cl)c2c(c1)CCc1cc(Br)cnc1C2=C1CCNCC1
InChIInChI=1S/C19H17BrCl2N2/c20-14-7-13-2-1-12-8-15(21)9-16(22)17(12)18(19(13)24-10-14)11-3-5-23-6-4-11/h7-10,23H,1-6H2
InChIKeyJQLPYQPWIRQKJE-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.17
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene with MolForge

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Related Compounds

6-bromo-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-bromo-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-15-ol
CID 157128391
6-bromo-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;ethane
CID 142002719
(2R)-6-bromo-13,15-dichloro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 59070200
1-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-(1-hydroxypyridin-1-ium-4-yl)ethanone
CID 160701418
ethyl 4-(14-amino-6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidine-1-carboxylate
CID 15452552
(S)-amino-[4-[2-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]prop-2-enyl]piperidin-1-yl]methanol
CID 89390411
1-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-ethyl-5-(methylamino)pentan-1-one
CID 18741098
13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene chloride
CID 126479926
tert-butyl 4-[2-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 15895351
6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10157048
(2R)-2-amino-3-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]propane-1-thiol
CID 59952566
(2S)-6,15-dibromo-13-chloro-9-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 152861318

Frequently Asked Questions

What is the IUPAC name of 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 15452554) is 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is Clc1cc(Cl)c2c(c1)CCc1cc(Br)cnc1C2=C1CCNCC1.
What is the InChIKey of 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is JQLPYQPWIRQKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl2N2/c20-14-7-13-2-1-12-8-15(21)9-16(22)17(12)18(19(13)24-10-14)11-3-5-23-6-4-11/h7-10,23H,1-6H2.
What are the key properties of 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 424.17 g/mol, XLogP of 5.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-13,15-dichloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 15452554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).