3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine

C14H18BrClFN — CID 113471739

IUPAC3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
SMILESCC(F)(Cc1ccc(Br)cc1Cl)C1CCCNC1
InChIInChI=1S/C14H18BrClFN/c1-14(17,11-3-2-6-18-9-11)8-10-4-5-12(15)7-13(10)16/h4-5,7,11,18H,2-3,6,8-9H2,1H3
InChIKeyRZWPGIJFQWJRBO-UHFFFAOYSA-N
MW334.66 g/mol
LogP4.37
Rot. Bonds3

About 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine

3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine (PubChem CID 113471739) has the molecular formula C14H18BrClFN and a molecular weight of 334.66 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
PubChem CID113471739
Molecular FormulaC14H18BrClFN
Molecular Weight334.66 g/mol
Exact Mass333.03
IUPAC Name3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
SMILESCC(F)(Cc1ccc(Br)cc1Cl)C1CCCNC1
InChIInChI=1S/C14H18BrClFN/c1-14(17,11-3-2-6-18-9-11)8-10-4-5-12(15)7-13(10)16/h4-5,7,11,18H,2-3,6,8-9H2,1H3
InChIKeyRZWPGIJFQWJRBO-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.66
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564975
3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 102622006
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746
3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine
CID 112564880
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
CID 112564899
1-(2-chloro-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611204
1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564193
N-(5-bromo-2-chlorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83200174

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine?
The IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine (CID 113471739) is 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine?
The canonical SMILES for 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine is CC(F)(Cc1ccc(Br)cc1Cl)C1CCCNC1.
What is the InChIKey of 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine?
The InChIKey is RZWPGIJFQWJRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFN/c1-14(17,11-3-2-6-18-9-11)8-10-4-5-12(15)7-13(10)16/h4-5,7,11,18H,2-3,6,8-9H2,1H3.
What are the key properties of 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine?
3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine has a molecular weight of 334.66 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine is sourced from PubChem (CID 113471739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).