1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid

C14H16BrNO4 — CID 2462231

IUPAC1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H16BrNO4/c15-11-1-3-12(4-2-11)20-9-13(17)16-7-5-10(6-8-16)14(18)19/h1-4,10H,5-9H2,(H,18,19)
InChIKeyCHXANKCDVIKEIS-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.15
Rot. Bonds4

About 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 2462231) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID2462231
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H16BrNO4/c15-11-1-3-12(4-2-11)20-9-13(17)16-7-5-10(6-8-16)14(18)19/h1-4,10H,5-9H2,(H,18,19)
InChIKeyCHXANKCDVIKEIS-UHFFFAOYSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059
1-[2-(4-bromophenoxy)acetyl]piperidin-4-one
CID 39451901
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromophenoxy)ethanone
CID 124611230
1-[2-(3-bromophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031622
1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031118
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[2-(2-bromo-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 43238325

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid (CID 2462231) is 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is CHXANKCDVIKEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c15-11-1-3-12(4-2-11)20-9-13(17)16-7-5-10(6-8-16)14(18)19/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 2462231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).