tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate

C17H22FNO3 — CID 7016484

IUPACtert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyARCRECZRQVSYIP-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.66
Rot. Bonds2

About tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate

tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate (PubChem CID 7016484) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate
PubChem CID7016484
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Nametert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyARCRECZRQVSYIP-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate (CID 7016484) is tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate?
The InChIKey is ARCRECZRQVSYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate?
tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 7016484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).