1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine

C15H20BrF2N — CID 107085562

IUPAC1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(c2c(F)cc(CBr)cc2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-10(2)12-3-5-19(6-4-12)15-13(17)7-11(9-16)8-14(15)18/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyXAMRLHPDHVDOHB-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.73
Rot. Bonds3

About 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine

1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine (PubChem CID 107085562) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
PubChem CID107085562
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(c2c(F)cc(CBr)cc2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-10(2)12-3-5-19(6-4-12)15-13(17)7-11(9-16)8-14(15)18/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyXAMRLHPDHVDOHB-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine (CID 107085562) is 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine is CC(C)C1CCN(c2c(F)cc(CBr)cc2F)CC1.
What is the InChIKey of 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine?
The InChIKey is XAMRLHPDHVDOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-10(2)12-3-5-19(6-4-12)15-13(17)7-11(9-16)8-14(15)18/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine?
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine has a molecular weight of 332.23 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 107085562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).