3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid

C15H28N2O4 — CID 79171517

IUPAC3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESCCN1CCOC(CN2CCC(OCCC(=O)O)CC2)C1
InChIInChI=1S/C15H28N2O4/c1-2-16-8-10-21-14(11-16)12-17-6-3-13(4-7-17)20-9-5-15(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyFSCQLYDLTRMHRJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.66
Rot. Bonds7

About 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 79171517) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID79171517
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESCCN1CCOC(CN2CCC(OCCC(=O)O)CC2)C1
InChIInChI=1S/C15H28N2O4/c1-2-16-8-10-21-14(11-16)12-17-6-3-13(4-7-17)20-9-5-15(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyFSCQLYDLTRMHRJ-UHFFFAOYSA-N
XLogP0.66
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
N-[(4-ethylmorpholin-2-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 114400052
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
CID 79172211
methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 78946666
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
CID 79171844
2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
CID 63904881
2-cyclopentyloxy-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79164427
3-(1-but-2-ynylpiperidin-4-yl)oxypropanoic acid
CID 63903229
3-[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63905147
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid (CID 79171517) is 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid is CCN1CCOC(CN2CCC(OCCC(=O)O)CC2)C1.
What is the InChIKey of 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is FSCQLYDLTRMHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-16-8-10-21-14(11-16)12-17-6-3-13(4-7-17)20-9-5-15(18)19/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 300.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 79171517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).