3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine

C15H21BrFNO — CID 112564975

IUPAC3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
SMILESCOc1ccc(Br)cc1CC(C)(F)C1CCCNC1
InChIInChI=1S/C15H21BrFNO/c1-15(17,12-4-3-7-18-10-12)9-11-8-13(16)5-6-14(11)19-2/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3
InChIKeyIATZZTOLNQWDPT-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.73
Rot. Bonds4

About 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine

3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine (PubChem CID 112564975) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
PubChem CID112564975
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
SMILESCOc1ccc(Br)cc1CC(C)(F)C1CCCNC1
InChIInChI=1S/C15H21BrFNO/c1-15(17,12-4-3-7-18-10-12)9-11-8-13(16)5-6-14(11)19-2/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3
InChIKeyIATZZTOLNQWDPT-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
CID 113471739
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 102622006
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089
3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine
CID 112564880
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
CID 83151167
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
CID 112564899

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine?
The IUPAC name of 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine (CID 112564975) is 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine?
The canonical SMILES for 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine is COc1ccc(Br)cc1CC(C)(F)C1CCCNC1.
What is the InChIKey of 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine?
The InChIKey is IATZZTOLNQWDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-15(17,12-4-3-7-18-10-12)9-11-8-13(16)5-6-14(11)19-2/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine?
3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine has a molecular weight of 330.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine is sourced from PubChem (CID 112564975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).