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

C17H24FNO3 — CID 104928512

IUPACtert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C(Cc2ccccc2F)C1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-9-8-15(20)13(11-19)10-12-6-4-5-7-14(12)18/h4-7,13,15,20H,8-11H2,1-3H3
InChIKeyWNDLGJLKXSVCCM-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.99
Rot. Bonds2

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

tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 104928512) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID104928512
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C(Cc2ccccc2F)C1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-9-8-15(20)13(11-19)10-12-6-4-5-7-14(12)18/h4-7,13,15,20H,8-11H2,1-3H3
InChIKeyWNDLGJLKXSVCCM-UHFFFAOYSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate
CID 104928493
tert-butyl 3-[(3-bromo-4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 104928486
tert-butyl 3-[(2-fluorophenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960868
tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 134385677
tert-butyl 4-[(2-chloro-3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 167313825
tert-butyl 3-[(2-fluorophenyl)methylsulfonylamino]pyrrolidine-1-carboxylate
CID 71629714
tert-butyl 4-[(2-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 71629905
tert-butyl 4-[4-[(2-fluorophenyl)methyl]-1-methoxycyclohexyl]piperazine-1-carboxylate
CID 69349923
[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]phenyl]boronic acid
CID 67451416
tert-butyl (3R,4S)-4-benzyl-3-fluoropiperidine-1-carboxylate
CID 129389302
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
CID 114451997
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate (CID 104928512) is tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)C(Cc2ccccc2F)C1.
What is the InChIKey of tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is WNDLGJLKXSVCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-9-8-15(20)13(11-19)10-12-6-4-5-7-14(12)18/h4-7,13,15,20H,8-11H2,1-3H3.
What are the key properties of tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 104928512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).