3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid

C14H27NO4 — CID 63988655

IUPAC3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
SMILESCC(C)OCC(O)CN1CCCC(CCC(=O)O)C1
InChIInChI=1S/C14H27NO4/c1-11(2)19-10-13(16)9-15-7-3-4-12(8-15)5-6-14(17)18/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyFIOKZQCCVKKPNB-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.35
Rot. Bonds8

About 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid

3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid (PubChem CID 63988655) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
PubChem CID63988655
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
SMILESCC(C)OCC(O)CN1CCCC(CCC(=O)O)C1
InChIInChI=1S/C14H27NO4/c1-11(2)19-10-13(16)9-15-7-3-4-12(8-15)5-6-14(17)18/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyFIOKZQCCVKKPNB-UHFFFAOYSA-N
XLogP1.35
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110932791
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate
CID 79038191
1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111165897
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
CID 83982945
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727
2-[1-(3-butoxy-2-hydroxypropyl)piperidin-3-yl]acetic acid
CID 107263568
3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid
CID 65071823

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid (CID 63988655) is 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid is CC(C)OCC(O)CN1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid?
The InChIKey is FIOKZQCCVKKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-11(2)19-10-13(16)9-15-7-3-4-12(8-15)5-6-14(17)18/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid?
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid has a molecular weight of 273.37 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 63988655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).