3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid

C15H28N2O3 — CID 84755515

IUPAC3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(N2CCCCC2CCO)C1
InChIInChI=1S/C15H28N2O3/c18-11-7-13-4-1-2-9-17(13)14-5-3-8-16(12-14)10-6-15(19)20/h13-14,18H,1-12H2,(H,19,20)
InChIKeyXPDNGHYPDCPBDR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.16
Rot. Bonds6

About 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid

3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid (PubChem CID 84755515) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid
PubChem CID84755515
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(N2CCCCC2CCO)C1
InChIInChI=1S/C15H28N2O3/c18-11-7-13-4-1-2-9-17(13)14-5-3-8-16(12-14)10-6-15(19)20/h13-14,18H,1-12H2,(H,19,20)
InChIKeyXPDNGHYPDCPBDR-UHFFFAOYSA-N
XLogP1.16
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 84755569
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033
3-(3-cyclohexylsulfanylpiperidin-1-yl)propanoic acid
CID 84755210
3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
CID 84755522
3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
CID 64730669
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propanoic acid
CID 102549085
2-[1-(azepan-4-yl)piperidin-2-yl]ethanol
CID 103983135

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid (CID 84755515) is 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid is O=C(O)CCN1CCCC(N2CCCCC2CCO)C1.
What is the InChIKey of 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid?
The InChIKey is XPDNGHYPDCPBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-11-7-13-4-1-2-9-17(13)14-5-3-8-16(12-14)10-6-15(19)20/h13-14,18H,1-12H2,(H,19,20).
What are the key properties of 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid?
3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 84755515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).