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3-(4-Isopropyl-piperazin-1-yl)-phenol

HCID 58499480
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)N1CCN(c2cccc(O)c2)CC1
InChIKey
DBBJTIAGGDCNKD-UHFFFAOYSA-N
Molecular formula
C13H20N2O
Average molar mass
220.31 g/mol

Names & identifiers

Preferred name
3-(4-Isopropyl-piperazin-1-yl)-phenol
IUPAC
3-(4-propan-2-ylpiperazin-1-yl)phenol

Names & synonyms

SCHEMBL2385980DBBJTIAGGDCNKD-UHFFFAOYSA-N3-(4-Isopropyl-piperazin-1-yl)-phenol

Database identifiers

PubChem CID
58499480

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
26.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
212

Related reactions

2 records
New reaction record
HRID 193584 reaction equation
HRID 193584As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 910274 reaction equation
HRID 910274As productuspto-grants-2011_09

Compound notes

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