1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid

C19H19F2NO2 — CID 5033095

IUPAC1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H19F2NO2/c20-15-8-4-13(5-9-15)18(14-6-10-16(21)11-7-14)22-12-2-1-3-17(22)19(23)24/h4-11,17-18H,1-3,12H2,(H,23,24)
InChIKeyIISXOASRULWTQD-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.99
Rot. Bonds4

About 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid

1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 5033095) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID5033095
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H19F2NO2/c20-15-8-4-13(5-9-15)18(14-6-10-16(21)11-7-14)22-12-2-1-3-17(22)19(23)24/h4-11,17-18H,1-3,12H2,(H,23,24)
InChIKeyIISXOASRULWTQD-UHFFFAOYSA-N
XLogP3.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid (CID 5033095) is 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is IISXOASRULWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-15-8-4-13(5-9-15)18(14-6-10-16(21)11-7-14)22-12-2-1-3-17(22)19(23)24/h4-11,17-18H,1-3,12H2,(H,23,24).
What are the key properties of 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid?
1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 331.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5033095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).