1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine

C14H18BrF2N — CID 107079893

IUPAC1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
SMILESCCC1CCCCN1c1c(F)cc(CBr)cc1F
InChIInChI=1S/C14H18BrF2N/c1-2-11-5-3-4-6-18(11)14-12(16)7-10(9-15)8-13(14)17/h7-8,11H,2-6,9H2,1H3
InChIKeyQGZPZNWFFOZGMS-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds3

About 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine

1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine (PubChem CID 107079893) has the molecular formula C14H18BrF2N and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
PubChem CID107079893
Molecular FormulaC14H18BrF2N
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
SMILESCCC1CCCCN1c1c(F)cc(CBr)cc1F
InChIInChI=1S/C14H18BrF2N/c1-2-11-5-3-4-6-18(11)14-12(16)7-10(9-15)8-13(14)17/h7-8,11H,2-6,9H2,1H3
InChIKeyQGZPZNWFFOZGMS-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.63
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

N-[[4-(2-ethylazepan-1-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 104690768
2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine
CID 154695193
N-[[4-(2-ethylpyrrolidin-1-yl)-3,5-difluorophenyl]methyl]propan-1-amine
CID 63076783
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293713
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine
CID 107079906
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
CID 107078854
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-ethylazepane
CID 107083954
[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 63076088
2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
CID 81294625
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
CID 107085562
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine?
The IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine (CID 107079893) is 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine?
The canonical SMILES for 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine is CCC1CCCCN1c1c(F)cc(CBr)cc1F.
What is the InChIKey of 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine?
The InChIKey is QGZPZNWFFOZGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N/c1-2-11-5-3-4-6-18(11)14-12(16)7-10(9-15)8-13(14)17/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine?
1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine has a molecular weight of 318.21 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine is sourced from PubChem (CID 107079893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).