3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid

C10H19NO3 — CID 43537431

IUPAC3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CCC(CO)CC1
InChIInChI=1S/C10H19NO3/c1-8(6-10(13)14)11-4-2-9(7-12)3-5-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyXOMWYJSIJFHKCX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds4

About 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid

3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid (PubChem CID 43537431) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid
PubChem CID43537431
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CCC(CO)CC1
InChIInChI=1S/C10H19NO3/c1-8(6-10(13)14)11-4-2-9(7-12)3-5-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyXOMWYJSIJFHKCX-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminopiperidin-1-yl)butanoic acid
CID 43556886
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972
3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 68522004
3-[4-(hydroxymethyl)piperidin-1-yl]butanenitrile
CID 60913650
[1-(1-sulfanylethyl)piperidin-4-yl]methanol
CID 138616110
3-(4-ethylpiperazin-1-yl)butanoic acid
CID 43537206
2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
CID 83040756
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
3-(4-formylpiperazin-1-yl)butanoic acid
CID 82112365
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
3-(4-methylsulfonylpiperazin-1-yl)butanoic acid
CID 62993470

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid (CID 43537431) is 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid is CC(CC(=O)O)N1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid?
The InChIKey is XOMWYJSIJFHKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(6-10(13)14)11-4-2-9(7-12)3-5-11/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid?
3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 43537431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).