2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine

C14H19BrFN — CID 117483845

IUPAC2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
SMILESCC(C)c1cc(C2CCCCN2)cc(Br)c1F
InChIInChI=1S/C14H19BrFN/c1-9(2)11-7-10(8-12(15)14(11)16)13-5-3-4-6-17-13/h7-9,13,17H,3-6H2,1-2H3
InChIKeyAZTUPEVKMGHXPZ-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.53
Rot. Bonds2

About 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine

2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine (PubChem CID 117483845) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
PubChem CID117483845
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
SMILESCC(C)c1cc(C2CCCCN2)cc(Br)c1F
InChIInChI=1S/C14H19BrFN/c1-9(2)11-7-10(8-12(15)14(11)16)13-5-3-4-6-17-13/h7-9,13,17H,3-6H2,1-2H3
InChIKeyAZTUPEVKMGHXPZ-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 84788156
2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline
CID 117116358
2-(3-bromo-4-pentan-3-ylphenyl)piperidine
CID 117495247
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 84779760
2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine
CID 84808315
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
2-(3-bromo-4-methoxy-5-methylsulfanylphenyl)pyrrolidine
CID 117486891
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497494

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine?
The IUPAC name of 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine (CID 117483845) is 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine?
The canonical SMILES for 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine is CC(C)c1cc(C2CCCCN2)cc(Br)c1F.
What is the InChIKey of 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine?
The InChIKey is AZTUPEVKMGHXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-9(2)11-7-10(8-12(15)14(11)16)13-5-3-4-6-17-13/h7-9,13,17H,3-6H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine?
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine has a molecular weight of 300.22 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117483845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).