4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine

C11H19BrF3N — CID 175485249

IUPAC4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine
SMILESCC(C)CN1CCC(CBr)CC1C(F)(F)F
InChIInChI=1S/C11H19BrF3N/c1-8(2)7-16-4-3-9(6-12)5-10(16)11(13,14)15/h8-10H,3-7H2,1-2H3
InChIKeyPBRVSYQEVKITHS-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.68
Rot. Bonds3

About 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine

4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine (PubChem CID 175485249) has the molecular formula C11H19BrF3N and a molecular weight of 302.18 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine
PubChem CID175485249
Molecular FormulaC11H19BrF3N
Molecular Weight302.18 g/mol
Exact Mass301.07
IUPAC Name4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine
SMILESCC(C)CN1CCC(CBr)CC1C(F)(F)F
InChIInChI=1S/C11H19BrF3N/c1-8(2)7-16-4-3-9(6-12)5-10(16)11(13,14)15/h8-10H,3-7H2,1-2H3
InChIKeyPBRVSYQEVKITHS-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.68
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 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine?
The IUPAC name of 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine (CID 175485249) is 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine?
The canonical SMILES for 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine is CC(C)CN1CCC(CBr)CC1C(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine?
The InChIKey is PBRVSYQEVKITHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF3N/c1-8(2)7-16-4-3-9(6-12)5-10(16)11(13,14)15/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine?
4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine has a molecular weight of 302.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 175485249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).