tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate

C20H30FNO3 — CID 155674422

IUPACtert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate
SMILESCOCCC(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30FNO3/c1-20(2,3)25-19(23)22-12-9-16(10-13-22)18(11-14-24-4)15-5-7-17(21)8-6-15/h5-8,16,18H,9-14H2,1-4H3
InChIKeyAFRBMBHUYAIYMJ-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.59
Rot. Bonds5

About tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate

tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate (PubChem CID 155674422) has the molecular formula C20H30FNO3 and a molecular weight of 351.46 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate
PubChem CID155674422
Molecular FormulaC20H30FNO3
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Nametert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate
SMILESCOCCC(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30FNO3/c1-20(2,3)25-19(23)22-12-9-16(10-13-22)18(11-14-24-4)15-5-7-17(21)8-6-15/h5-8,16,18H,9-14H2,1-4H3
InChIKeyAFRBMBHUYAIYMJ-UHFFFAOYSA-N
XLogP4.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate (CID 155674422) is tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate is COCCC(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate?
The InChIKey is AFRBMBHUYAIYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO3/c1-20(2,3)25-19(23)22-12-9-16(10-13-22)18(11-14-24-4)15-5-7-17(21)8-6-15/h5-8,16,18H,9-14H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate has a molecular weight of 351.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(4-fluorophenyl)-3-methoxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 155674422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).