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

C15H20ClFN2O3 — CID 141142703

IUPAC(2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid
SMILESNCCOc1ccc(C[C@H]2CCCCN2C(=O)O)c(F)c1Cl
InChIInChI=1S/C15H20ClFN2O3/c16-13-12(22-8-6-18)5-4-10(14(13)17)9-11-3-1-2-7-19(11)15(20)21/h4-5,11H,1-3,6-9,18H2,(H,20,21)/t11-/m1/s1
InChIKeyBXIIKVJTZIPXCQ-LLVKDONJSA-N
MW330.79 g/mol
LogP2.89
Rot. Bonds5

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

(2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid (PubChem CID 141142703) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid
PubChem CID141142703
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name(2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid
SMILESNCCOc1ccc(C[C@H]2CCCCN2C(=O)O)c(F)c1Cl
InChIInChI=1S/C15H20ClFN2O3/c16-13-12(22-8-6-18)5-4-10(14(13)17)9-11-3-1-2-7-19(11)15(20)21/h4-5,11H,1-3,6-9,18H2,(H,20,21)/t11-/m1/s1
InChIKeyBXIIKVJTZIPXCQ-LLVKDONJSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid (CID 141142703) is (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid is NCCOc1ccc(C[C@H]2CCCCN2C(=O)O)c(F)c1Cl.
What is the InChIKey of (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid?
The InChIKey is BXIIKVJTZIPXCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c16-13-12(22-8-6-18)5-4-10(14(13)17)9-11-3-1-2-7-19(11)15(20)21/h4-5,11H,1-3,6-9,18H2,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid?
(2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid has a molecular weight of 330.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-aminoethoxy)-3-chloro-2-fluorophenyl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141142703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).