2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid

C14H27NO5 — CID 106991498

IUPAC2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
SMILESCOCC(C)OCC(O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H27NO5/c1-11(9-19-2)20-10-13(16)8-15-5-3-12(4-6-15)7-14(17)18/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyMTANHUHNYBJIAW-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.59
Rot. Bonds9

About 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid

2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid (PubChem CID 106991498) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
PubChem CID106991498
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
SMILESCOCC(C)OCC(O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H27NO5/c1-11(9-19-2)20-10-13(16)8-15-5-3-12(4-6-15)7-14(17)18/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyMTANHUHNYBJIAW-UHFFFAOYSA-N
XLogP0.59
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
CID 106992256
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid
CID 103159436
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106991541
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
CID 119178205
2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
CID 106990694
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid
CID 107072174
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
CID 63928651

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid (CID 106991498) is 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid is COCC(C)OCC(O)CN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid?
The InChIKey is MTANHUHNYBJIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-11(9-19-2)20-10-13(16)8-15-5-3-12(4-6-15)7-14(17)18/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid?
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid has a molecular weight of 289.37 g/mol, XLogP of 0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 106991498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).