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

C22H26FNO3 — CID 18423523

IUPACtert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C22H26FNO3/c1-22(2,3)27-21(26)24-12-11-19(25)14-20(24)16-9-7-15(8-10-16)17-5-4-6-18(23)13-17/h4-10,13,19-20,25H,11-12,14H2,1-3H3
InChIKeyFLGQIGYFWKUUMG-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.93
Rot. Bonds2

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

tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 18423523) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID18423523
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Nametert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C22H26FNO3/c1-22(2,3)27-21(26)24-12-11-19(25)14-20(24)16-9-7-15(8-10-16)17-5-4-6-18(23)13-17/h4-10,13,19-20,25H,11-12,14H2,1-3H3
InChIKeyFLGQIGYFWKUUMG-UHFFFAOYSA-N
XLogP4.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate (CID 18423523) is tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)CC1c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is FLGQIGYFWKUUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-22(2,3)27-21(26)24-12-11-19(25)14-20(24)16-9-7-15(8-10-16)17-5-4-6-18(23)13-17/h4-10,13,19-20,25H,11-12,14H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 371.45 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(3-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 18423523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).