1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine

C14H19BrFN — CID 171396188

IUPAC1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H19BrFN/c1-11-2-5-17(6-3-11)7-4-12-8-13(15)10-14(16)9-12/h8-11H,2-7H2,1H3
InChIKeyCNQUIBBMDPONRV-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.86
Rot. Bonds3

About 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine

1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine (PubChem CID 171396188) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine
PubChem CID171396188
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H19BrFN/c1-11-2-5-17(6-3-11)7-4-12-8-13(15)10-14(16)9-12/h8-11H,2-7H2,1H3
InChIKeyCNQUIBBMDPONRV-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine (CID 171396188) is 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine is CC1CCN(CCc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine?
The InChIKey is CNQUIBBMDPONRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-11-2-5-17(6-3-11)7-4-12-8-13(15)10-14(16)9-12/h8-11H,2-7H2,1H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine?
1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine has a molecular weight of 300.21 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine is sourced from PubChem (CID 171396188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).