(2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine

C14H19BrFN — CID 175706805

IUPAC(2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine
SMILESFc1ccccc1CCN1CCCC[C@@H]1CBr
InChIInChI=1S/C14H19BrFN/c15-11-13-6-3-4-9-17(13)10-8-12-5-1-2-7-14(12)16/h1-2,5,7,13H,3-4,6,8-11H2/t13-/m1/s1
InChIKeyODBRHFUKBDRONU-CYBMUJFWSA-N
MW300.21 g/mol
LogP3.62
Rot. Bonds4

About (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine

(2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine (PubChem CID 175706805) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine
PubChem CID175706805
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name(2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine
SMILESFc1ccccc1CCN1CCCC[C@@H]1CBr
InChIInChI=1S/C14H19BrFN/c15-11-13-6-3-4-9-17(13)10-8-12-5-1-2-7-14(12)16/h1-2,5,7,13H,3-4,6,8-11H2/t13-/m1/s1
InChIKeyODBRHFUKBDRONU-CYBMUJFWSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052719
2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 80668518
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 55220491
1-[2-(bromomethyl)azepan-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 116639495
1-[(3-bromo-4-fluorophenyl)methyl]-2-(bromomethyl)azepane
CID 116638475
2-(bromomethyl)-1-(2-fluorophenyl)sulfonylazepane
CID 116639734
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-[(2-bromo-3-fluorophenyl)methyl]-2-ethylazepane
CID 104691389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine?
The IUPAC name of (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine (CID 175706805) is (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine?
The canonical SMILES for (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine is Fc1ccccc1CCN1CCCC[C@@H]1CBr.
What is the InChIKey of (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine?
The InChIKey is ODBRHFUKBDRONU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19BrFN/c15-11-13-6-3-4-9-17(13)10-8-12-5-1-2-7-14(12)16/h1-2,5,7,13H,3-4,6,8-11H2/t13-/m1/s1.
What are the key properties of (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine?
(2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine has a molecular weight of 300.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(bromomethyl)-1-[2-(2-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 175706805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).