3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine

C17H26FN — CID 112565416

IUPAC3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine
SMILESCC(C)(C)c1ccc(CC(F)C2CCCNC2)cc1
InChIInChI=1S/C17H26FN/c1-17(2,3)15-8-6-13(7-9-15)11-16(18)14-5-4-10-19-12-14/h6-9,14,16,19H,4-5,10-12H2,1-3H3
InChIKeyWAKBROOEWNVCBG-UHFFFAOYSA-N
MW263.40 g/mol
LogP3.86
Rot. Bonds3

About 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine

3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine (PubChem CID 112565416) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine
PubChem CID112565416
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine
SMILESCC(C)(C)c1ccc(CC(F)C2CCCNC2)cc1
InChIInChI=1S/C17H26FN/c1-17(2,3)15-8-6-13(7-9-15)11-16(18)14-5-4-10-19-12-14/h6-9,14,16,19H,4-5,10-12H2,1-3H3
InChIKeyWAKBROOEWNVCBG-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112563753
2-(4-fluorophenyl)-1-piperidin-3-ylethanol
CID 71683765
3-(1-fluoro-3-phenylpropyl)piperidine
CID 83855350
2-(4-ethylphenyl)-1-piperidin-3-ylethanol
CID 79019336
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 112565371
3-(4-tert-butylphenyl)piperidine
CID 24904200
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
3-[4-(2-fluoropropyl)phenyl]piperidine
CID 84687072
3-(1-fluoro-4-phenylbutyl)piperidine
CID 112565317
3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
CID 112569630
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine (CID 112565416) is 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine is CC(C)(C)c1ccc(CC(F)C2CCCNC2)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine?
The InChIKey is WAKBROOEWNVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-17(2,3)15-8-6-13(7-9-15)11-16(18)14-5-4-10-19-12-14/h6-9,14,16,19H,4-5,10-12H2,1-3H3.
What are the key properties of 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine?
3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine has a molecular weight of 263.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112565416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).