2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid

C11H21NO3 — CID 103519870

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(C(C)O)CC1
InChIInChI=1S/C11H21NO3/c1-3-10(11(14)15)12-6-4-9(5-7-12)8(2)13/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyAWQADZAYFIXERG-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds4

About 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid

2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid (PubChem CID 103519870) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
PubChem CID103519870
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(C(C)O)CC1
InChIInChI=1S/C11H21NO3/c1-3-10(11(14)15)12-6-4-9(5-7-12)8(2)13/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyAWQADZAYFIXERG-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
CID 129495909
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733
2-(azocan-1-yl)butanoic acid
CID 43808973
(2S)-2-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butanoic acid
CID 129401525
(2R)-2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]butanoic acid
CID 129401528
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid
CID 129495739
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
(2R)-2-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butanoic acid
CID 129498272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid (CID 103519870) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCC(C(C)O)CC1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid?
The InChIKey is AWQADZAYFIXERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-10(11(14)15)12-6-4-9(5-7-12)8(2)13/h8-10,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid?
2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 103519870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).