(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone

C14H17BrFNO — CID 176513313

IUPAC(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1c(F)cc(C(=O)N2CCC(C)CC2)cc1Br
InChIInChI=1S/C14H17BrFNO/c1-9-3-5-17(6-4-9)14(18)11-7-12(15)10(2)13(16)8-11/h7-9H,3-6H2,1-2H3
InChIKeyGUXPNRCFPPDJGS-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.77
Rot. Bonds1

About (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone

(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 176513313) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID176513313
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1c(F)cc(C(=O)N2CCC(C)CC2)cc1Br
InChIInChI=1S/C14H17BrFNO/c1-9-3-5-17(6-4-9)14(18)11-7-12(15)10(2)13(16)8-11/h7-9H,3-6H2,1-2H3
InChIKeyGUXPNRCFPPDJGS-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-fluoro-4-methylphenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 176513315
(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
(3-bromo-5-fluoro-4-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 176513305
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
(3-bromo-4,5-difluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 172646628
[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone
CID 63626543
(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 63185506
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
tert-butyl (2R)-4-(3-bromo-5-fluoro-4-methylbenzoyl)-2-methylpiperazine-1-carboxylate
CID 176513331
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(2-amino-4-bromo-5-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 114278145
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 176513313) is (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone is Cc1c(F)cc(C(=O)N2CCC(C)CC2)cc1Br.
What is the InChIKey of (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GUXPNRCFPPDJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-9-3-5-17(6-4-9)14(18)11-7-12(15)10(2)13(16)8-11/h7-9H,3-6H2,1-2H3.
What are the key properties of (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 314.20 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 176513313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).