4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine

C14H18BrF2N — CID 114682382

IUPAC4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine
SMILESCC1CN(CC(F)(F)c2ccccc2)CCC1Br
InChIInChI=1S/C14H18BrF2N/c1-11-9-18(8-7-13(11)15)10-14(16,17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyQNHVUVLHZSEHMF-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.88
Rot. Bonds3

About 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine

4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine (PubChem CID 114682382) has the molecular formula C14H18BrF2N and a molecular weight of 318.20 g/mol. Its IUPAC name is 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine
PubChem CID114682382
Molecular FormulaC14H18BrF2N
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine
SMILESCC1CN(CC(F)(F)c2ccccc2)CCC1Br
InChIInChI=1S/C14H18BrF2N/c1-11-9-18(8-7-13(11)15)10-14(16,17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyQNHVUVLHZSEHMF-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 106838270
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
CID 116789445
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine
CID 116790757
N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 116789672
1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine
CID 116790576
1-(2,2-difluoro-2-phenylethyl)-3-ethyl-1,4-diazepane
CID 116790827
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
CID 116790034
4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790596
4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 116789560
1-(2,2-difluoro-2-phenylethyl)-3-propyl-1,4-diazepane
CID 116790823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine?
The IUPAC name of 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine (CID 114682382) is 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine.
What is the SMILES notation for 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine?
The canonical SMILES for 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine is CC1CN(CC(F)(F)c2ccccc2)CCC1Br.
What is the InChIKey of 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine?
The InChIKey is QNHVUVLHZSEHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N/c1-11-9-18(8-7-13(11)15)10-14(16,17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine?
4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine has a molecular weight of 318.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine is sourced from PubChem (CID 114682382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).