1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine

C15H21BrFN — CID 63458840

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
SMILESCCCC1CCN(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H21BrFN/c1-2-3-12-6-8-18(9-7-12)11-13-4-5-15(17)14(16)10-13/h4-5,10,12H,2-3,6-9,11H2,1H3
InChIKeyHFGIXABANYCHEV-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.60
Rot. Bonds4

About 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine

1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine (PubChem CID 63458840) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
PubChem CID63458840
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
SMILESCCCC1CCN(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H21BrFN/c1-2-3-12-6-8-18(9-7-12)11-13-4-5-15(17)14(16)10-13/h4-5,10,12H,2-3,6-9,11H2,1H3
InChIKeyHFGIXABANYCHEV-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592584
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylazepane
CID 63623198
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237
[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917749
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine
CID 47646907
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
CID 65244841

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine (CID 63458840) is 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine is CCCC1CCN(Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine?
The InChIKey is HFGIXABANYCHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-3-12-6-8-18(9-7-12)11-13-4-5-15(17)14(16)10-13/h4-5,10,12H,2-3,6-9,11H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine?
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine has a molecular weight of 314.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine is sourced from PubChem (CID 63458840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).