3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine

C14H19BrFNO2 — CID 103524207

IUPAC3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine
SMILESCOc1ccc(C(F)C2CCCNC2)c(OC)c1Br
InChIInChI=1S/C14H19BrFNO2/c1-18-11-6-5-10(14(19-2)12(11)15)13(16)9-4-3-7-17-8-9/h5-6,9,13,17H,3-4,7-8H2,1-2H3
InChIKeyRWZIRYDRQSBCDA-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.48
Rot. Bonds4

About 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine

3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine (PubChem CID 103524207) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine
PubChem CID103524207
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine
SMILESCOc1ccc(C(F)C2CCCNC2)c(OC)c1Br
InChIInChI=1S/C14H19BrFNO2/c1-18-11-6-5-10(14(19-2)12(11)15)13(16)9-4-3-7-17-8-9/h5-6,9,13,17H,3-4,7-8H2,1-2H3
InChIKeyRWZIRYDRQSBCDA-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
3-[(2-bromo-3,6-dimethoxyphenyl)methyl]piperidine
CID 117499754
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408
2-piperidin-3-yl-1-(2,3,4-trimethoxyphenyl)butan-1-one
CID 70348568
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
CID 112565315
3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
CID 112565383
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine?
The IUPAC name of 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine (CID 103524207) is 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine?
The canonical SMILES for 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine is COc1ccc(C(F)C2CCCNC2)c(OC)c1Br.
What is the InChIKey of 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine?
The InChIKey is RWZIRYDRQSBCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-18-11-6-5-10(14(19-2)12(11)15)13(16)9-4-3-7-17-8-9/h5-6,9,13,17H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine?
3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine has a molecular weight of 332.21 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine is sourced from PubChem (CID 103524207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).