tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate

C18H24FNO4 — CID 91474985

IUPACtert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate
SMILESCc1ccc(F)c(C(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H24FNO4/c1-12-5-6-14(19)13(11-12)15(21)18(23)7-9-20(10-8-18)16(22)24-17(2,3)4/h5-6,11,23H,7-10H2,1-4H3
InChIKeyYQNVYGYVVCULQD-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.08
Rot. Bonds2

About tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 91474985) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate
PubChem CID91474985
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Nametert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate
SMILESCc1ccc(F)c(C(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H24FNO4/c1-12-5-6-14(19)13(11-12)15(21)18(23)7-9-20(10-8-18)16(22)24-17(2,3)4/h5-6,11,23H,7-10H2,1-4H3
InChIKeyYQNVYGYVVCULQD-UHFFFAOYSA-N
XLogP3.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2,5-difluorobenzoyl)-4-hydroxypiperidine-1-carboxylate
CID 139511949
1-O-tert-butyl 4-O-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl] 4-hydroxypiperidine-1,4-dicarboxylate
CID 90425575
tert-butyl 4-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate
CID 24961069
tert-butyl 4-[(E)-2-(3-cyano-4-fluorophenyl)ethenyl]-4-hydroxypiperidine-1-carboxylate
CID 86730462
tert-butyl 4-[(3,4-difluorophenyl)methyl]-4-fluoropiperidine-1-carboxylate
CID 154662489
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl 4-acetyl-4-(2-fluoro-4-methyl-6-propylphenyl)piperidine-1-carboxylate
CID 138614169
tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67217796
tert-butyl 4-(2-bromo-4-methylbenzoyl)piperazine-1-carboxylate
CID 168509836
tert-butyl 3-(2-fluoro-4-methylanilino)azetidine-1-carboxylate
CID 63303129
tert-butyl 4-[2-fluoro-5-[(E)-prop-1-enyl]benzoyl]piperazine-1-carboxylate
CID 89169377
tert-butyl 4-hydroxy-4-[3-(4-methylphenyl)-3-oxoprop-1-ynyl]piperidine-1-carboxylate
CID 145464518

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate (CID 91474985) is tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate is Cc1ccc(F)c(C(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is YQNVYGYVVCULQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-12-5-6-14(19)13(11-12)15(21)18(23)7-9-20(10-8-18)16(22)24-17(2,3)4/h5-6,11,23H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 337.39 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 91474985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).