1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid

C14H15ClFNO4 — CID 83052469

IUPAC1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H15ClFNO4/c15-10-2-1-3-11(16)13(10)21-8-12(18)17-6-4-9(5-7-17)14(19)20/h1-3,9H,4-8H2,(H,19,20)
InChIKeyUUZDMGFMFJIBMF-UHFFFAOYSA-N
MW315.73 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 83052469) has the molecular formula C14H15ClFNO4 and a molecular weight of 315.73 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID83052469
Molecular FormulaC14H15ClFNO4
Molecular Weight315.73 g/mol
Exact Mass315.07
IUPAC Name1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H15ClFNO4/c15-10-2-1-3-11(16)13(10)21-8-12(18)17-6-4-9(5-7-17)14(19)20/h1-3,9H,4-8H2,(H,19,20)
InChIKeyUUZDMGFMFJIBMF-UHFFFAOYSA-N
XLogP2.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,6-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119354980
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
CID 63934028
2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid
CID 83050552
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
1-[2-(4-chloro-2-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 9156731
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630456
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
CID 2462231
4-[2-(2,6-dichlorophenoxy)acetyl]piperazine-1-carbaldehyde
CID 3424511

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid (CID 83052469) is 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is UUZDMGFMFJIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO4/c15-10-2-1-3-11(16)13(10)21-8-12(18)17-6-4-9(5-7-17)14(19)20/h1-3,9H,4-8H2,(H,19,20).
What are the key properties of 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 315.73 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 83052469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).