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1-[3-Amino-3-(4-methylphenyl)propyl]piperidine

HCID 13799121
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C(N)CCN2CCCCC2)cc1
InChIKey
MMVKJFGBCZKBJI-UHFFFAOYSA-N
Molecular formula
C15H24N2
Average molar mass
232.36 g/mol

Names & identifiers

Preferred name
1-[3-Amino-3-(4-methylphenyl)propyl]piperidine
IUPAC
1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine

Names & synonyms

SCHEMBL10672928MMVKJFGBCZKBJI-UHFFFAOYSA-NAKOS0119111701-[3-amino-3-(4-methylphenyl)propyl]piperidine

Database identifiers

PubChem CID
13799121

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
203

Related reactions

2 records
New reaction record
HRID 35007 reaction equation
HRID 35007As reactantuspto-grants-1988_08
HRID 182247 reaction equation
HRID 182247As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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