3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine

C12H14BrF2N — CID 84814784

IUPAC3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCCNC2)c(Br)c1F
InChIInChI=1S/C12H14BrF2N/c13-11-9(3-4-10(14)12(11)15)6-8-2-1-5-16-7-8/h3-4,8,16H,1-2,5-7H2
InChIKeyNFWPQBSHAHAIHV-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.27
Rot. Bonds2

About 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine

3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine (PubChem CID 84814784) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
PubChem CID84814784
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCCNC2)c(Br)c1F
InChIInChI=1S/C12H14BrF2N/c13-11-9(3-4-10(14)12(11)15)6-8-2-1-5-16-7-8/h3-4,8,16H,1-2,5-7H2
InChIKeyNFWPQBSHAHAIHV-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244
4-bromo-2-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814289
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine?
The IUPAC name of 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine (CID 84814784) is 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine is Fc1ccc(CC2CCCNC2)c(Br)c1F.
What is the InChIKey of 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine?
The InChIKey is NFWPQBSHAHAIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-11-9(3-4-10(14)12(11)15)6-8-2-1-5-16-7-8/h3-4,8,16H,1-2,5-7H2.
What are the key properties of 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine?
3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine has a molecular weight of 290.15 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 84814784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).