(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone

C13H16BrFN2O — CID 115737432

IUPAC(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
SMILESCC1CN(C(=O)c2c(F)cccc2Br)CCC1N
InChIInChI=1S/C13H16BrFN2O/c1-8-7-17(6-5-11(8)16)13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11H,5-7,16H2,1H3
InChIKeyMWRCATHSTYBPIA-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.40
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone

(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone (PubChem CID 115737432) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
PubChem CID115737432
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
SMILESCC1CN(C(=O)c2c(F)cccc2Br)CCC1N
InChIInChI=1S/C13H16BrFN2O/c1-8-7-17(6-5-11(8)16)13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11H,5-7,16H2,1H3
InChIKeyMWRCATHSTYBPIA-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone;hydrochloride
CID 119592569
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711
(2-bromo-6-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 113265714
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(4-amino-3-methylpiperidin-1-yl)-(4-bromo-2-fluorophenyl)methanone
CID 79879444
1-(2-bromo-6-fluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119668
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-3-methylphenyl)methanone
CID 114023943
(2-bromo-6-fluorophenyl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124569718
(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498326
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81266324

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone (CID 115737432) is (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone is CC1CN(C(=O)c2c(F)cccc2Br)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone?
The InChIKey is MWRCATHSTYBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-8-7-17(6-5-11(8)16)13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11H,5-7,16H2,1H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone has a molecular weight of 315.19 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone is sourced from PubChem (CID 115737432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).