1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine

C15H21BrFN — CID 107084939

IUPAC1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
SMILESCCCC1CCCCN1c1ccc(CBr)cc1F
InChIInChI=1S/C15H21BrFN/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-16)10-14(15)17/h7-8,10,13H,2-6,9,11H2,1H3
InChIKeyVXKRYNAWLYPABD-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.88
Rot. Bonds4

About 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine

1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine (PubChem CID 107084939) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
PubChem CID107084939
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
SMILESCCCC1CCCCN1c1ccc(CBr)cc1F
InChIInChI=1S/C15H21BrFN/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-16)10-14(15)17/h7-8,10,13H,2-6,9,11H2,1H3
InChIKeyVXKRYNAWLYPABD-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.88
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-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538
3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
CID 83056403
[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine
CID 83053330
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine
CID 107084260
1-(2-fluorophenyl)-2-propylpyrrolidine
CID 67817363
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine
CID 107079906
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060904
[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 83044639
1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine
CID 63787296
1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
CID 107079893
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine?
The IUPAC name of 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine (CID 107084939) is 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine?
The canonical SMILES for 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine is CCCC1CCCCN1c1ccc(CBr)cc1F.
What is the InChIKey of 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine?
The InChIKey is VXKRYNAWLYPABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-16)10-14(15)17/h7-8,10,13H,2-6,9,11H2,1H3.
What are the key properties of 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine?
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine has a molecular weight of 314.24 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine is sourced from PubChem (CID 107084939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).