tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate

C18H26FNO3 — CID 10639655

IUPACtert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CCc2cccc(F)c2)CC1
InChIInChI=1S/C18H26FNO3/c1-17(2,3)23-16(21)20-11-9-18(22,10-12-20)8-7-14-5-4-6-15(19)13-14/h4-6,13,22H,7-12H2,1-3H3
InChIKeyVYYXUSIQSNPNCW-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 10639655) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID10639655
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nametert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CCc2cccc(F)c2)CC1
InChIInChI=1S/C18H26FNO3/c1-17(2,3)23-16(21)20-11-9-18(22,10-12-20)8-7-14-5-4-6-15(19)13-14/h4-6,13,22H,7-12H2,1-3H3
InChIKeyVYYXUSIQSNPNCW-UHFFFAOYSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate (CID 10639655) is tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CCc2cccc(F)c2)CC1.
What is the InChIKey of tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is VYYXUSIQSNPNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-17(2,3)23-16(21)20-11-9-18(22,10-12-20)8-7-14-5-4-6-15(19)13-14/h4-6,13,22H,7-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 323.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3-fluorophenyl)ethyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 10639655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).