4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine

C13H17BrFN — CID 115052308

IUPAC4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine
SMILESCN1CCC(C(F)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrFN/c1-16-8-6-11(7-9-16)13(15)10-2-4-12(14)5-3-10/h2-5,11,13H,6-9H2,1H3
InChIKeyNNCDQQLUAHNGQF-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.80
Rot. Bonds2

About 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine

4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine (PubChem CID 115052308) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine
PubChem CID115052308
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine
SMILESCN1CCC(C(F)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrFN/c1-16-8-6-11(7-9-16)13(15)10-2-4-12(14)5-3-10/h2-5,11,13H,6-9H2,1H3
InChIKeyNNCDQQLUAHNGQF-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine?
The IUPAC name of 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine (CID 115052308) is 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine?
The canonical SMILES for 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine is CN1CCC(C(F)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine?
The InChIKey is NNCDQQLUAHNGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-16-8-6-11(7-9-16)13(15)10-2-4-12(14)5-3-10/h2-5,11,13H,6-9H2,1H3.
What are the key properties of 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine?
4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine has a molecular weight of 286.19 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-fluoromethyl]-1-methylpiperidine is sourced from PubChem (CID 115052308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).