4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid

C15H21FN2O3 — CID 142920577

IUPAC4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid
SMILESNC(COCC1CCN(C(=O)O)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c16-13-3-1-12(2-4-13)14(17)10-21-9-11-5-7-18(8-6-11)15(19)20/h1-4,11,14H,5-10,17H2,(H,19,20)
InChIKeyZUZGRSYVGDBUDP-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.23
Rot. Bonds5

About 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid

4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid (PubChem CID 142920577) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid
PubChem CID142920577
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid
SMILESNC(COCC1CCN(C(=O)O)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c16-13-3-1-12(2-4-13)14(17)10-21-9-11-5-7-18(8-6-11)15(19)20/h1-4,11,14H,5-10,17H2,(H,19,20)
InChIKeyZUZGRSYVGDBUDP-UHFFFAOYSA-N
XLogP2.23
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(2S)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926592
tert-butyl 4-[(2R)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926593
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666
4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid
CID 138680042
2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine
CID 114157406
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 119950821
3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid (CID 142920577) is 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid is NC(COCC1CCN(C(=O)O)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid?
The InChIKey is ZUZGRSYVGDBUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-13-3-1-12(2-4-13)14(17)10-21-9-11-5-7-18(8-6-11)15(19)20/h1-4,11,14H,5-10,17H2,(H,19,20).
What are the key properties of 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid?
4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid has a molecular weight of 296.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 142920577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).