(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid

C15H22N2O5 — CID 68985329

IUPAC(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid
SMILESCOc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2)c1OC
InChIInChI=1S/C15H22N2O5/c1-20-12-4-3-5-13(14(12)21-2)22-9-6-11-10-17(15(18)19)8-7-16-11/h3-5,11,16H,6-10H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyFPHWVJFXXHPLTH-LLVKDONJSA-N
MW310.35 g/mol
LogP1.42
Rot. Bonds6

About (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid

(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid (PubChem CID 68985329) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid
PubChem CID68985329
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid
SMILESCOc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2)c1OC
InChIInChI=1S/C15H22N2O5/c1-20-12-4-3-5-13(14(12)21-2)22-9-6-11-10-17(15(18)19)8-7-16-11/h3-5,11,16H,6-10H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyFPHWVJFXXHPLTH-LLVKDONJSA-N
XLogP1.42
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[2-(4-ethoxycarbonyl-2-methoxyphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68990033
3-[2-(3,4-dimethylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 69174887
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid
CID 68990967
(3R)-3-[2-(4-methylsulfonylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985680
benzyl (3R)-3-[2-(5-fluoro-2-methoxyphenoxy)ethyl]piperazine-1-carboxylate
CID 91254169
3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39445675
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
(3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid
CID 68985765
3-[2-(pyrrolidine-1-carbonyloxy)ethyl]piperazine-1-carboxylic acid
CID 69174781
benzene;chloromethane;(3S)-3-(hydroxymethyl)piperazine-1-carboxylic acid
CID 174567901
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid (CID 68985329) is (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid is COc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2)c1OC.
What is the InChIKey of (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid?
The InChIKey is FPHWVJFXXHPLTH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-20-12-4-3-5-13(14(12)21-2)22-9-6-11-10-17(15(18)19)8-7-16-11/h3-5,11,16H,6-10H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid?
(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68985329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).