4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid

C13H16BrNO4 — CID 67203574

IUPAC4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid
SMILESCOc1cc(Br)cc(OC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C13H16BrNO4/c1-18-11-6-9(14)7-12(8-11)19-10-2-4-15(5-3-10)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeySMMMWNFNPLOPGY-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.98
Rot. Bonds3

About 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid

4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid (PubChem CID 67203574) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid
PubChem CID67203574
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid
SMILESCOc1cc(Br)cc(OC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C13H16BrNO4/c1-18-11-6-9(14)7-12(8-11)19-10-2-4-15(5-3-10)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeySMMMWNFNPLOPGY-UHFFFAOYSA-N
XLogP2.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
4-[[1-(4-methoxyphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 57468346
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
CID 82858235
4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984
4-(3-methoxy-4-nitrophenoxy)piperidine-1-carboxylic acid
CID 156749027
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
[4-(4-bromoanilino)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;oxalic acid
CID 163327888
4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83190258
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid (CID 67203574) is 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid is COc1cc(Br)cc(OC2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid?
The InChIKey is SMMMWNFNPLOPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-18-11-6-9(14)7-12(8-11)19-10-2-4-15(5-3-10)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid?
4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid has a molecular weight of 330.18 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methoxyphenoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 67203574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).