3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine

C16H24FN — CID 117377672

IUPAC3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
SMILESCc1ccc(C(C)(C)F)cc1CC1CCCNC1
InChIInChI=1S/C16H24FN/c1-12-6-7-15(16(2,3)17)10-14(12)9-13-5-4-8-18-11-13/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3
InChIKeyOBFRLZZUZHRHDA-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.74
Rot. Bonds3

About 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine

3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine (PubChem CID 117377672) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
PubChem CID117377672
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
SMILESCc1ccc(C(C)(C)F)cc1CC1CCCNC1
InChIInChI=1S/C16H24FN/c1-12-6-7-15(16(2,3)17)10-14(12)9-13-5-4-8-18-11-13/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3
InChIKeyOBFRLZZUZHRHDA-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine
CID 117448101
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine?
The IUPAC name of 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine (CID 117377672) is 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine.
What is the SMILES notation for 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine?
The canonical SMILES for 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine is Cc1ccc(C(C)(C)F)cc1CC1CCCNC1.
What is the InChIKey of 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine?
The InChIKey is OBFRLZZUZHRHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-6-7-15(16(2,3)17)10-14(12)9-13-5-4-8-18-11-13/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine?
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine has a molecular weight of 249.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine is sourced from PubChem (CID 117377672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).