1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone

C14H18BrFN2O — CID 43224288

IUPAC1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-2-3-12(15)8-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3
InChIKeyQSVQTFCYCIJSEL-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.69
Rot. Bonds3

About 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 43224288) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
PubChem CID43224288
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-2-3-12(15)8-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3
InChIKeyQSVQTFCYCIJSEL-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R,4R)-4-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093534
1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115619711
1-[(3R,4S)-4-[(5-bromo-2-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093478
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
N-[(4-bromo-2-fluorophenyl)methyl]-1-(5-bromopyrimidin-2-yl)pyrrolidin-3-amine
CID 66854252
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
N-[(4-bromo-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965550

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone (CID 43224288) is 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is QSVQTFCYCIJSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-2-3-12(15)8-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3.
What are the key properties of 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 329.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43224288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).