tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate

C17H24FNO3 — CID 67154710

IUPACtert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(20)19-10-4-5-13(11-19)12-21-15-8-6-14(18)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyYGSMPZBTLQPDCQ-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate

tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate (PubChem CID 67154710) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate
PubChem CID67154710
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(20)19-10-4-5-13(11-19)12-21-15-8-6-14(18)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyYGSMPZBTLQPDCQ-UHFFFAOYSA-N
XLogP3.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate (CID 67154710) is tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate?
The InChIKey is YGSMPZBTLQPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-17(2,3)22-16(20)19-10-4-5-13(11-19)12-21-15-8-6-14(18)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67154710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).