4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid

C15H20ClFN2O3 — CID 141177829

IUPAC4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid
SMILESNCCOc1c(CC2CCN(C(=O)O)CC2)ccc(F)c1Cl
InChIInChI=1S/C15H20ClFN2O3/c16-13-12(17)2-1-11(14(13)22-8-5-18)9-10-3-6-19(7-4-10)15(20)21/h1-2,10H,3-9,18H2,(H,20,21)
InChIKeyTZWMUJSXDYKFQR-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.75
Rot. Bonds5

About 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid

4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid (PubChem CID 141177829) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid
PubChem CID141177829
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid
SMILESNCCOc1c(CC2CCN(C(=O)O)CC2)ccc(F)c1Cl
InChIInChI=1S/C15H20ClFN2O3/c16-13-12(17)2-1-11(14(13)22-8-5-18)9-10-3-6-19(7-4-10)15(20)21/h1-2,10H,3-9,18H2,(H,20,21)
InChIKeyTZWMUJSXDYKFQR-UHFFFAOYSA-N
XLogP2.75
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
CID 68975518
(2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid
CID 141142703
tert-butyl 4-[(2-chloro-3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 167313825
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
4-[2-(4-chloro-2-cyanophenoxy)ethyl]piperidine-1-carboxylic acid
CID 123553778
4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
CID 174678128
4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
CID 118164700
4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608855
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91243111
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662189
[2-(2-aminoethoxy)-5-methylphenyl]-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171708461

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid (CID 141177829) is 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid is NCCOc1c(CC2CCN(C(=O)O)CC2)ccc(F)c1Cl.
What is the InChIKey of 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid?
The InChIKey is TZWMUJSXDYKFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c16-13-12(17)2-1-11(14(13)22-8-5-18)9-10-3-6-19(7-4-10)15(20)21/h1-2,10H,3-9,18H2,(H,20,21).
What are the key properties of 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid?
4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid has a molecular weight of 330.79 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141177829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).