bis(3-fluorophenyl) piperidine-1,3-dicarboxylate

C19H17F2NO4 — CID 137465751

IUPACbis(3-fluorophenyl) piperidine-1,3-dicarboxylate
SMILESO=C(Oc1cccc(F)c1)C1CCCN(C(=O)Oc2cccc(F)c2)C1
InChIInChI=1S/C19H17F2NO4/c20-14-5-1-7-16(10-14)25-18(23)13-4-3-9-22(12-13)19(24)26-17-8-2-6-15(21)11-17/h1-2,5-8,10-11,13H,3-4,9,12H2
InChIKeyUHMQPLKCBNPRQV-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.78
Rot. Bonds3

About bis(3-fluorophenyl) piperidine-1,3-dicarboxylate

bis(3-fluorophenyl) piperidine-1,3-dicarboxylate (PubChem CID 137465751) has the molecular formula C19H17F2NO4 and a molecular weight of 361.34 g/mol. Its IUPAC name is bis(3-fluorophenyl) piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(3-fluorophenyl) piperidine-1,3-dicarboxylate
PubChem CID137465751
Molecular FormulaC19H17F2NO4
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Namebis(3-fluorophenyl) piperidine-1,3-dicarboxylate
SMILESO=C(Oc1cccc(F)c1)C1CCCN(C(=O)Oc2cccc(F)c2)C1
InChIInChI=1S/C19H17F2NO4/c20-14-5-1-7-16(10-14)25-18(23)13-4-3-9-22(12-13)19(24)26-17-8-2-6-15(21)11-17/h1-2,5-8,10-11,13H,3-4,9,12H2
InChIKeyUHMQPLKCBNPRQV-UHFFFAOYSA-N
XLogP3.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenoxy)carbonylpiperidine-3-carboxylic acid
CID 116819531
bis(3-fluorophenyl) cyclohexane-1,2-dicarboxylate
CID 91738558
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
ethyl 1-[2-[(3-fluorophenoxy)methyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 46003385
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 63719182
1-(3-chlorophenoxy)carbonylpyrrolidine-3-carboxylic acid
CID 116819510
[3-(trifluoromethyl)phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 166181785

Frequently Asked Questions

What is the IUPAC name of bis(3-fluorophenyl) piperidine-1,3-dicarboxylate?
The IUPAC name of bis(3-fluorophenyl) piperidine-1,3-dicarboxylate (CID 137465751) is bis(3-fluorophenyl) piperidine-1,3-dicarboxylate.
What is the SMILES notation for bis(3-fluorophenyl) piperidine-1,3-dicarboxylate?
The canonical SMILES for bis(3-fluorophenyl) piperidine-1,3-dicarboxylate is O=C(Oc1cccc(F)c1)C1CCCN(C(=O)Oc2cccc(F)c2)C1.
What is the InChIKey of bis(3-fluorophenyl) piperidine-1,3-dicarboxylate?
The InChIKey is UHMQPLKCBNPRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO4/c20-14-5-1-7-16(10-14)25-18(23)13-4-3-9-22(12-13)19(24)26-17-8-2-6-15(21)11-17/h1-2,5-8,10-11,13H,3-4,9,12H2.
What are the key properties of bis(3-fluorophenyl) piperidine-1,3-dicarboxylate?
bis(3-fluorophenyl) piperidine-1,3-dicarboxylate has a molecular weight of 361.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-fluorophenyl) piperidine-1,3-dicarboxylate is sourced from PubChem (CID 137465751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).