[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate

C17H22FNO3 — CID 174578442

IUPAC[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c1-17(2,3)16(21)22-19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyBJMMFSFTXBOKAD-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.22
Rot. Bonds3

About [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174578442) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174578442
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c1-17(2,3)16(21)22-19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyBJMMFSFTXBOKAD-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174802403
[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175261398
[(3R)-3-(4-chloro-3-fluorobenzoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174803573
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174848374
(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone
CID 123142194
2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one
CID 58228571
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
[3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate
CID 174527492

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174578442) is [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is BJMMFSFTXBOKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-17(2,3)16(21)22-19-10-8-13(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 [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 307.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174578442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).