2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid

C17H25FN2O3 — CID 122043716

IUPAC2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCC(CN1CCOC(CN(C)CC(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3/c1-13(14-3-5-15(18)6-4-14)9-20-7-8-23-16(11-20)10-19(2)12-17(21)22/h3-6,13,16H,7-12H2,1-2H3,(H,21,22)
InChIKeyVEAMMFNPIGZKFC-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.65
Rot. Bonds7

About 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043716) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043716
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCC(CN1CCOC(CN(C)CC(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3/c1-13(14-3-5-15(18)6-4-14)9-20-7-8-23-16(11-20)10-19(2)12-17(21)22/h3-6,13,16H,7-12H2,1-2H3,(H,21,22)
InChIKeyVEAMMFNPIGZKFC-UHFFFAOYSA-N
XLogP1.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Phenylpiperidin-1-yl)acetic acid
CID 1089052
Acetic acid 1-(4-phenyl-piperidin-1-ylmethyl)-propyl ester
CID 15925889
Acetic acid 2-(4-phenyl-piperidin-1-yl)-ethyl ester
CID 15925891
1-(2-Acetoxy-ethyl)-1-methyl-4-phenyl-piperidinium
CID 15925894
Ethyl 2-(4-phenylpiperidino)acetate
CID 3829780
Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, ethyl ester
CID 6444856
[4-(4-Fluoro-benzyl)-piperidin-1-yl]-oxo-acetic acid ethyl ester
CID 46086681
1-[2-(Acetyloxy)ethyl]-4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethylpiperazinediium
CID 1032684
[(3S)-3-methyl-5-phenylpentyl] 2-(1-methylpiperidin-1-ium-1-yl)acetate
CID 1610192
Ethyl [4-(4-fluorobenzyl)piperazin-1-yl]acetate
CID 6464986
2-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
CID 19992291
2-[3-[(4-Butylpiperidin-1-yl)methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 20672543

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043716) is 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid is CC(CN1CCOC(CN(C)CC(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is VEAMMFNPIGZKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-13(14-3-5-15(18)6-4-14)9-20-7-8-23-16(11-20)10-19(2)12-17(21)22/h3-6,13,16H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 324.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-fluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).