(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone

C13H15BrFNO — CID 116614148

IUPAC(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2cc(Br)ccc2F)CCCCN1
InChIInChI=1S/C13H15BrFNO/c1-13(6-2-3-7-16-13)12(17)10-8-9(14)4-5-11(10)15/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyRBFDSRUNOMEFJJ-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.30
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone

(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone (PubChem CID 116614148) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
PubChem CID116614148
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2cc(Br)ccc2F)CCCCN1
InChIInChI=1S/C13H15BrFNO/c1-13(6-2-3-7-16-13)12(17)10-8-9(14)4-5-11(10)15/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyRBFDSRUNOMEFJJ-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291162
methyl 1-(5-bromo-2-fluorobenzoyl)cyclopropane-1-carboxylate
CID 116922178
(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 107514916
(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161
4-bromo-2-[(2-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 104596607
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 116614015
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone (CID 116614148) is (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)c2cc(Br)ccc2F)CCCCN1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone?
The InChIKey is RBFDSRUNOMEFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-13(6-2-3-7-16-13)12(17)10-8-9(14)4-5-11(10)15/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone?
(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone has a molecular weight of 300.17 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 116614148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).