(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

C14H18BrFN2O — CID 55168737

IUPAC(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H18BrFN2O/c1-17-9-11-4-2-3-7-18(11)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyYXUMMMVQGHIWRB-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.80
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 55168737) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID55168737
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H18BrFN2O/c1-17-9-11-4-2-3-7-18(11)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyYXUMMMVQGHIWRB-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484404
(2-bromo-5-fluorophenyl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569856
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119468080
(2-bromo-4-chlorophenyl)-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124677503
(4-chloro-2-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484658
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295
(4-bromo-3-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484830
(4,5-dibromothiophen-2-yl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 80537519
(3-bromo-2-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484495
(3-bromo-5-fluorophenyl)-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 129380585
(2-bromo-4-fluorophenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62734387
2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
CID 95309748

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 55168737) is (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCCN1C(=O)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is YXUMMMVQGHIWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-17-9-11-4-2-3-7-18(11)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 329.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55168737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).