(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

C13H15BrF2N2O — CID 124517167

IUPAC(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C13H15BrF2N2O/c1-17-9-3-2-4-18(7-9)13(19)12-10(15)5-8(14)6-11(12)16/h5-6,9,17H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyMLCNVMZVIBEEGA-SECBINFHSA-N
MW333.18 g/mol
LogP2.55
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124517167) has the molecular formula C13H15BrF2N2O and a molecular weight of 333.18 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124517167
Molecular FormulaC13H15BrF2N2O
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC Name(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C13H15BrF2N2O/c1-17-9-3-2-4-18(7-9)13(19)12-10(15)5-8(14)6-11(12)16/h5-6,9,17H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyMLCNVMZVIBEEGA-SECBINFHSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62536372
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
(4-bromo-2,6-difluorophenyl)-[3-(2-bromoethyl)piperidin-1-yl]methanone
CID 80668874
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119494037
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
(2-fluoro-6-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 65432499
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (CID 124517167) is (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is CN[C@@H]1CCCN(C(=O)c2c(F)cc(Br)cc2F)C1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is MLCNVMZVIBEEGA-SECBINFHSA-N. The full InChI is InChI=1S/C13H15BrF2N2O/c1-17-9-3-2-4-18(7-9)13(19)12-10(15)5-8(14)6-11(12)16/h5-6,9,17H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 333.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124517167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).