4-(4-tert-butyl-2,6-difluorophenyl)piperidine

C15H21F2N — CID 121475944

IUPAC4-(4-tert-butyl-2,6-difluorophenyl)piperidine
SMILESCC(C)(C)c1cc(F)c(C2CCNCC2)c(F)c1
InChIInChI=1S/C15H21F2N/c1-15(2,3)11-8-12(16)14(13(17)9-11)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3
InChIKeyPOLVWRYOZONMLA-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.73
Rot. Bonds1

About 4-(4-tert-butyl-2,6-difluorophenyl)piperidine

4-(4-tert-butyl-2,6-difluorophenyl)piperidine (PubChem CID 121475944) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,6-difluorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-tert-butyl-2,6-difluorophenyl)piperidine
PubChem CID121475944
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name4-(4-tert-butyl-2,6-difluorophenyl)piperidine
SMILESCC(C)(C)c1cc(F)c(C2CCNCC2)c(F)c1
InChIInChI=1S/C15H21F2N/c1-15(2,3)11-8-12(16)14(13(17)9-11)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3
InChIKeyPOLVWRYOZONMLA-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-4-piperidin-4-ylphenol
CID 84782646
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
CID 117435548
3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128
3-bromo-5-fluoro-4-piperidin-4-ylbenzene-1,2-diol
CID 117468437
4-(3,5-ditert-butylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 59210176
4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
CID 117116603
4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 83392377
5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
CID 177477426
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
CID 117366624

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,6-difluorophenyl)piperidine?
The IUPAC name of 4-(4-tert-butyl-2,6-difluorophenyl)piperidine (CID 121475944) is 4-(4-tert-butyl-2,6-difluorophenyl)piperidine.
What is the SMILES notation for 4-(4-tert-butyl-2,6-difluorophenyl)piperidine?
The canonical SMILES for 4-(4-tert-butyl-2,6-difluorophenyl)piperidine is CC(C)(C)c1cc(F)c(C2CCNCC2)c(F)c1.
What is the InChIKey of 4-(4-tert-butyl-2,6-difluorophenyl)piperidine?
The InChIKey is POLVWRYOZONMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-15(2,3)11-8-12(16)14(13(17)9-11)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3.
What are the key properties of 4-(4-tert-butyl-2,6-difluorophenyl)piperidine?
4-(4-tert-butyl-2,6-difluorophenyl)piperidine has a molecular weight of 253.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2,6-difluorophenyl)piperidine is sourced from PubChem (CID 121475944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).