3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine

C15H21F2N — CID 162545804

IUPAC3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cccc(CN2CCCC(F)(F)C2)c1
InChIInChI=1S/C15H21F2N/c1-12(2)14-6-3-5-13(9-14)10-18-8-4-7-15(16,17)11-18/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3
InChIKeyCFRNPIDLWRREBR-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.04
Rot. Bonds3

About 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine

3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine (PubChem CID 162545804) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine
PubChem CID162545804
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cccc(CN2CCCC(F)(F)C2)c1
InChIInChI=1S/C15H21F2N/c1-12(2)14-6-3-5-13(9-14)10-18-8-4-7-15(16,17)11-18/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3
InChIKeyCFRNPIDLWRREBR-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(difluoromethyl)phenyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 115529620
2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
CID 117339044
2-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 117313419
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
CID 175649184
3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine
CID 58115746
3-amino-1-[[3-(difluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107321157
3,3-difluoro-1-[(4-nitrophenyl)methyl]piperidine
CID 59410283
3-[(3,3-difluoropyrrolidin-1-yl)methyl]benzoic acid;hydrochloride
CID 137332046
1-[(4-bromo-2,6-dimethylphenyl)methyl]-3,3-difluoropiperidine
CID 172876555
2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine
CID 168939087
1-[[3-(difluoromethyl)phenyl]methyl]-4-ethylpiperidine-4-carboxylic acid
CID 115529624

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine (CID 162545804) is 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine is CC(C)c1cccc(CN2CCCC(F)(F)C2)c1.
What is the InChIKey of 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is CFRNPIDLWRREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-12(2)14-6-3-5-13(9-14)10-18-8-4-7-15(16,17)11-18/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3.
What are the key properties of 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine?
3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 253.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 162545804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).