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1-Piperidinebutanoic acid, 2-methyl-

HCID 20568358
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CCCCN1CCCC(=O)O
InChIKey
VVBPYQUHXLPXAB-UHFFFAOYSA-N
Molecular formula
C10H19NO2
Average molar mass
185.26 g/mol

Names & identifiers

Preferred name
1-Piperidinebutanoic acid, 2-methyl-
IUPAC
4-(2-methylpiperidin-1-yl)butanoic acid

Names & synonyms

1-Piperidinebutanoic acid, 2-methyl-684639-81-4SCHEMBL18656324-(2-methylpiperidyl)butanoic acidSBB077236

Database identifiers

PubChem CID
20568358

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
170

Related reactions

2 records
New reaction record
HRID 2125355 reaction equation
HRID 2125355As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2315167 reaction equation
HRID 2315167As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes