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4-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine

HCID 20239754
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nccn1CCCC1CCNCC1
InChIKey
SXOITMUSIRTDIC-UHFFFAOYSA-N
Molecular formula
C12H21N3
Average molar mass
207.32 g/mol

Names & identifiers

Preferred name
4-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
IUPAC
4-[3-(2-methylimidazol-1-yl)propyl]piperidine

Names & synonyms

SCHEMBL10845955SXOITMUSIRTDIC-UHFFFAOYSA-N4-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine

Database identifiers

PubChem CID
20239754

Properties

Computed structural propertiesFilling in

XLogP
1.4
Topological polar surface area
29.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
178

Related reactions

7 records
New reaction record
HRID 177899 reaction equation
HRID 177899As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 364744 reaction equation
HRID 364744As productuspto-grants-1986_08
HRID 364745 reaction equation
HRID 364745As reactantuspto-grants-1986_08
HRID 485819 reaction equation
HRID 485819As productuspto-grants-1985_08
HRID 485820 reaction equation
HRID 485820As reactantuspto-grants-1985_08
HRID 1388409 reaction equation
HRID 1388409As productuspto-grants-1984_02
HRID 1388410 reaction equation
HRID 1388410As reactantuspto-grants-1984_02

Compound notes

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