3-[(4-tert-butylphenyl)-fluoromethyl]piperidine

C16H24FN — CID 112565434

IUPAC3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
SMILESCC(C)(C)c1ccc(C(F)C2CCCNC2)cc1
InChIInChI=1S/C16H24FN/c1-16(2,3)14-8-6-12(7-9-14)15(17)13-5-4-10-18-11-13/h6-9,13,15,18H,4-5,10-11H2,1-3H3
InChIKeyLSPOTHNUNNINBP-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.99
Rot. Bonds2

About 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine

3-[(4-tert-butylphenyl)-fluoromethyl]piperidine (PubChem CID 112565434) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
PubChem CID112565434
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
SMILESCC(C)(C)c1ccc(C(F)C2CCCNC2)cc1
InChIInChI=1S/C16H24FN/c1-16(2,3)14-8-6-12(7-9-14)15(17)13-5-4-10-18-11-13/h6-9,13,15,18H,4-5,10-11H2,1-3H3
InChIKeyLSPOTHNUNNINBP-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine?
The IUPAC name of 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine (CID 112565434) is 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine?
The canonical SMILES for 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine is CC(C)(C)c1ccc(C(F)C2CCCNC2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine?
The InChIKey is LSPOTHNUNNINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-16(2,3)14-8-6-12(7-9-14)15(17)13-5-4-10-18-11-13/h6-9,13,15,18H,4-5,10-11H2,1-3H3.
What are the key properties of 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine?
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine has a molecular weight of 249.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)-fluoromethyl]piperidine is sourced from PubChem (CID 112565434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).