tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate

C16H21F2NO2 — CID 67505810

IUPACtert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(F)CC1c1ccccc1
InChIInChI=1S/C16H21F2NO2/c1-15(2,3)21-14(20)19-10-9-16(17,18)11-13(19)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyGVUDLANFFFNCFL-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.39
Rot. Bonds1

About tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate

tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate (PubChem CID 67505810) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
PubChem CID67505810
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Nametert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(F)CC1c1ccccc1
InChIInChI=1S/C16H21F2NO2/c1-15(2,3)21-14(20)19-10-9-16(17,18)11-13(19)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyGVUDLANFFFNCFL-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(4-bromophenyl)-4,4-difluoropiperidine-1-carboxylate
CID 164536876
tert-butyl (2R,4S)-4-hydroxy-4-methyl-2-phenylpiperidine-1-carboxylate
CID 131731160
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl 4,4-difluoro-2-(5-fluoro-2-pyridinyl)piperidine-1-carboxylate
CID 138598319
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpiperidine-4-carboxylic acid
CID 45073944
4-[4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-5-methylpyrimidine-2-carboxylic acid
CID 156842866
tert-butyl (2S,4R)-4-(2-hydroxypropan-2-yl)-2-phenylpiperidine-1-carboxylate
CID 170718441
tert-butyl (2S,4R)-4-acetyl-2-phenylpiperidine-1-carboxylate
CID 170718409
tert-butyl (2S)-4-[(1-methylcyclopropyl)amino]-2-phenylpiperidine-1-carboxylate
CID 165142124
tert-butyl 2-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 85431629
tert-butyl 4-methyl-2-phenylpyrrolidine-1-carboxylate
CID 170718600

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate (CID 67505810) is tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(F)CC1c1ccccc1.
What is the InChIKey of tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate?
The InChIKey is GVUDLANFFFNCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-15(2,3)21-14(20)19-10-9-16(17,18)11-13(19)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3.
What are the key properties of tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate?
tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate has a molecular weight of 297.34 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 67505810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).