1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine

C15H20BrF2N — CID 114166432

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(Cc2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-10(2)11-5-7-19(8-6-11)9-12-14(17)4-3-13(16)15(12)18/h3-4,10-11H,5-9H2,1-2H3
InChIKeyUXEBIOHUEMCSRR-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.60
Rot. Bonds3

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine

1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine (PubChem CID 114166432) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
PubChem CID114166432
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(Cc2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-10(2)11-5-7-19(8-6-11)9-12-14(17)4-3-13(16)15(12)18/h3-4,10-11H,5-9H2,1-2H3
InChIKeyUXEBIOHUEMCSRR-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-4-methylsulfanylpiperidine
CID 114237818
2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 106264865
1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine
CID 106264844
methyl 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 106268339
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-(2-chloroethoxy)piperidine
CID 106272398
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 106269061
3-[(3-bromo-2,6-difluorophenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 106269097
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
CID 106268702
methyl 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 106270380
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 106273588
[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 106268333

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine (CID 114166432) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine is CC(C)C1CCN(Cc2c(F)ccc(Br)c2F)CC1.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine?
The InChIKey is UXEBIOHUEMCSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-10(2)11-5-7-19(8-6-11)9-12-14(17)4-3-13(16)15(12)18/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine?
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine has a molecular weight of 332.23 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 114166432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).