(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

C19H19BrCl2N2 — CID 59070200

IUPAC(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
SMILESClc1cc(Cl)c2c(c1)CCc1cc(Br)cnc1[C@@H]2C1CCNCC1
InChIInChI=1S/C19H19BrCl2N2/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/h7-11,18,23H,1-6H2/t18-/m1/s1
InChIKeyHRHIWANNFSPGCY-GOSISDBHSA-N
MW426.19 g/mol
LogP5.38
Rot. Bonds1

About (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

(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 (PubChem CID 59070200) has the molecular formula C19H19BrCl2N2 and a molecular weight of 426.19 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID59070200
Molecular FormulaC19H19BrCl2N2
Molecular Weight426.19 g/mol
Exact Mass424.01
IUPAC Name(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
SMILESClc1cc(Cl)c2c(c1)CCc1cc(Br)cnc1[C@@H]2C1CCNCC1
InChIInChI=1S/C19H19BrCl2N2/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/h7-11,18,23H,1-6H2/t18-/m1/s1
InChIKeyHRHIWANNFSPGCY-GOSISDBHSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.19
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Related Compounds

(2S)-6-bromo-13-chloro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 59880724
(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
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-yl)piperidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;6,15-dibromo-13-chloro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 161062703
1-[4-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-4-piperidin-1-ylbutan-1-one
CID 20678830
(2R)-6-bromo-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;ethane
CID 142002599
1-[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-methylpropan-1-one
CID 10792548
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-yl)piperidin-1-yl]propan-1-one
CID 59157843
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
[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]-(3,5-dihydroxycyclohexyl)methanone
CID 10304401
(2-aminophenyl)-[4-[(2R)-6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]methanone;(2S)-6-bromo-13-chloro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis((2R)-6-bromo-13-chloro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);6-bromo-13-chloro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;methane
CID 158560073
[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]-(oxolan-2-yl)methanone
CID 10303372
1-[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-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]ethanone
CID 10212134

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Clc1cc(Cl)c2c(c1)CCc1cc(Br)cnc1[C@@H]2C1CCNCC1.
What is the InChIKey of (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?
The InChIKey is HRHIWANNFSPGCY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19BrCl2N2/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/h7-11,18,23H,1-6H2/t18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 426.19 g/mol, XLogP of 5.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 59070200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).