4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine

C14H19BrFN — CID 79320340

IUPAC4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1c1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFN/c1-9(2)13-8-17-6-5-11(13)12-4-3-10(15)7-14(12)16/h3-4,7,9,11,13,17H,5-6,8H2,1-2H3
InChIKeyAZASDDNCPJUCRC-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.94
Rot. Bonds2

About 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine

4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine (PubChem CID 79320340) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine
PubChem CID79320340
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1c1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFN/c1-9(2)13-8-17-6-5-11(13)12-4-3-10(15)7-14(12)16/h3-4,7,9,11,13,17H,5-6,8H2,1-2H3
InChIKeyAZASDDNCPJUCRC-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine (CID 79320340) is 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine is CC(C)C1CNCCC1c1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine?
The InChIKey is AZASDDNCPJUCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-9(2)13-8-17-6-5-11(13)12-4-3-10(15)7-14(12)16/h3-4,7,9,11,13,17H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine?
4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine has a molecular weight of 300.21 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 79320340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).