2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid

C14H15F2NO4 — CID 66731555

IUPAC2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid
SMILESCOC(=O)N1CCC(C(=O)O)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO4/c1-21-14(20)17-5-4-9(13(18)19)7-12(17)8-2-3-10(15)11(16)6-8/h2-3,6,9,12H,4-5,7H2,1H3,(H,18,19)
InChIKeyPWWYFARDABCZMS-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.57
Rot. Bonds2

About 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid

2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid (PubChem CID 66731555) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid
PubChem CID66731555
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid
SMILESCOC(=O)N1CCC(C(=O)O)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO4/c1-21-14(20)17-5-4-9(13(18)19)7-12(17)8-2-3-10(15)11(16)6-8/h2-3,6,9,12H,4-5,7H2,1H3,(H,18,19)
InChIKeyPWWYFARDABCZMS-UHFFFAOYSA-N
XLogP2.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid (CID 66731555) is 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid is COC(=O)N1CCC(C(=O)O)CC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid?
The InChIKey is PWWYFARDABCZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c1-21-14(20)17-5-4-9(13(18)19)7-12(17)8-2-3-10(15)11(16)6-8/h2-3,6,9,12H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid?
2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 66731555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).