[4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate

C15H19FINO2 — CID 162509335

IUPAC[4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate
SMILESCC(C)(I)C(=O)OC1(c2cccc(F)c2)CCNCC1
InChIInChI=1S/C15H19FINO2/c1-14(2,17)13(19)20-15(6-8-18-9-7-15)11-4-3-5-12(16)10-11/h3-5,10,18H,6-9H2,1-2H3
InChIKeyFUHPOONEJYKBLY-UHFFFAOYSA-N
MW391.22 g/mol
LogP3.16
Rot. Bonds3

About [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate

[4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate (PubChem CID 162509335) has the molecular formula C15H19FINO2 and a molecular weight of 391.22 g/mol. Its IUPAC name is [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate.

Molecular Properties

Compound Name[4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate
PubChem CID162509335
Molecular FormulaC15H19FINO2
Molecular Weight391.22 g/mol
Exact Mass391.04
IUPAC Name[4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate
SMILESCC(C)(I)C(=O)OC1(c2cccc(F)c2)CCNCC1
InChIInChI=1S/C15H19FINO2/c1-14(2,17)13(19)20-15(6-8-18-9-7-15)11-4-3-5-12(16)10-11/h3-5,10,18H,6-9H2,1-2H3
InChIKeyFUHPOONEJYKBLY-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[3-(3-fluorophenyl)azetidin-3-yl] 2,2-dimethylpropanoate
CID 174763623
4-(3-fluorophenyl)-4-methoxypiperidine
CID 105463022
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(3-phenylpiperidin-3-yl) 2-iodo-2-methylpropanoate
CID 162508404
[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174695662
[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174809929
methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate
CID 115041992
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634720
1-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 120890611
(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate?
The IUPAC name of [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate (CID 162509335) is [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate.
What is the SMILES notation for [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate?
The canonical SMILES for [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate is CC(C)(I)C(=O)OC1(c2cccc(F)c2)CCNCC1.
What is the InChIKey of [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate?
The InChIKey is FUHPOONEJYKBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FINO2/c1-14(2,17)13(19)20-15(6-8-18-9-7-15)11-4-3-5-12(16)10-11/h3-5,10,18H,6-9H2,1-2H3.
What are the key properties of [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate?
[4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate has a molecular weight of 391.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate is sourced from PubChem (CID 162509335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).