3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid

C15H20ClFN2O3 — CID 69266324

IUPAC3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid
SMILESNCCO[C@@H](c1cc(F)cc(Cl)c1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C15H20ClFN2O3/c16-12-6-11(7-13(17)8-12)14(22-5-3-18)10-2-1-4-19(9-10)15(20)21/h6-8,10,14H,1-5,9,18H2,(H,20,21)/t10?,14-/m1/s1
InChIKeyGDVSLZANUDJWIJ-LNUXAPHWSA-N
MW330.79 g/mol
LogP2.89
Rot. Bonds5

About 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid

3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 69266324) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid
PubChem CID69266324
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid
SMILESNCCO[C@@H](c1cc(F)cc(Cl)c1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C15H20ClFN2O3/c16-12-6-11(7-13(17)8-12)14(22-5-3-18)10-2-1-4-19(9-10)15(20)21/h6-8,10,14H,1-5,9,18H2,(H,20,21)/t10?,14-/m1/s1
InChIKeyGDVSLZANUDJWIJ-LNUXAPHWSA-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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Related Compounds

butyl 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylate
CID 69262349
3-[(3,5-difluorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]piperidine-1-carboxylic acid
CID 69262213
tert-butyl (3R)-3-[(R)-(3-chloro-5-fluorophenyl)-(cyanomethoxy)methyl]piperidine-1-carboxylate
CID 67365681
2-[(3-chloro-5-fluorophenyl)-[1-[[1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68711199
(3R)-3-[(R)-2-azidoethoxy-(3-chlorophenyl)methyl]piperidine-1-carboxylic acid
CID 141201727
methyl N-[2-[(R)-[1-[[(2R)-2-amino-3-(oxan-3-yl)propyl]carbamoyl]piperidin-3-yl]-(3-chloro-5-fluorophenyl)methoxy]ethyl]carbamate
CID 24812373
3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid
CID 66862259
tert-butyl (3R)-3-[(R)-2-aminoethoxy-(5-chloro-2-methylphenyl)methyl]piperidine-1-carboxylate
CID 58011528
methyl N-[2-[(R)-(3-chloro-5-fluorophenyl)-[1-[methylamino-[3-(oxan-3-yl)propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
CID 68954316
tert-butyl (3R)-3-[(R)-2-aminoethoxy-(3-chloro-2-fluorophenyl)methyl]piperidine-1-carboxylate
CID 59382850
3-[(R)-(3-chlorophenyl)-[2-[(N-cyano-N'-methylcarbamimidoyl)amino]ethoxy]methyl]piperidine-1-carboxylic acid
CID 141177743
2-[(R)-(3,5-difluorophenyl)-[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68710673

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid (CID 69266324) is 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid is NCCO[C@@H](c1cc(F)cc(Cl)c1)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is GDVSLZANUDJWIJ-LNUXAPHWSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c16-12-6-11(7-13(17)8-12)14(22-5-3-18)10-2-1-4-19(9-10)15(20)21/h6-8,10,14H,1-5,9,18H2,(H,20,21)/t10?,14-/m1/s1.
What are the key properties of 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid?
3-[(R)-2-aminoethoxy-(3-chloro-5-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 3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69266324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).