tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

C19H26FNO4 — CID 69151339

IUPACtert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCOC(=O)CC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26FNO4/c1-18(2,3)25-17(23)21-11-9-19(10-12-21,13-16(22)24-4)14-5-7-15(20)8-6-14/h5-8H,9-13H2,1-4H3
InChIKeyVOWDNRAZECYRIQ-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 69151339) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID69151339
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Nametert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCOC(=O)CC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26FNO4/c1-18(2,3)25-17(23)21-11-9-19(10-12-21,13-16(22)24-4)14-5-7-15(20)8-6-14/h5-8H,9-13H2,1-4H3
InChIKeyVOWDNRAZECYRIQ-UHFFFAOYSA-N
XLogP3.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate (CID 69151339) is tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate is COC(=O)CC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is VOWDNRAZECYRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-18(2,3)25-17(23)21-11-9-19(10-12-21,13-16(22)24-4)14-5-7-15(20)8-6-14/h5-8H,9-13H2,1-4H3.
What are the key properties of tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 351.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 69151339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).