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1-(4-Bromobenzyl)piperidin-4-ol

HCID 677772
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Basic information

CAS
184921-07-1
Standard SMILES
OC1CCN(Cc2ccc(Br)cc2)CC1
InChIKey
ADVVFZJCQAZNBA-UHFFFAOYSA-N
Molecular formula
C12H16BrNO
Average molar mass
270.17 g/mol
Monoisotopic mass
269.04153

Names & identifiers

Preferred name
1-(4-Bromobenzyl)piperidin-4-ol
IUPAC
1-[(4-bromophenyl)methyl]piperidin-4-ol
English name
1-(4-broMobenzyl)piperidin-4-ol
Molecular formula
C12H16BrNO
Molecular weight
270.17

Names & synonyms

1-(4-Bromobenzyl)piperidin-4-ol184921-07-11-[(4-bromophenyl)methyl]piperidin-4-olCambridge id 5263839Oprea1_627276SCHEMBL1927705ADVVFZJCQAZNBA-UHFFFAOYSA-N1-(4-bromo-benzyl)-piperidin-4-olAKOS008716603DB-097547N10260AB00077701-01
Show more names
4-Piperidinol, 1-[(4-bromophenyl)methyl]-
SR-01000202008SR-01000202008-1

Database identifiers

CAS
184921-07-1
PubChem CID
677772

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
184

Physicochemical properties

Boiling point
374.5 · 374.5±27.0 °C(Predicted)
Density
1.429 · 1.429±0.06 g/cm3(Predicted)
pka
14.85 · 14.85±0.20(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

4-Bromobenzyl bromide

Related reactions

11 records
New reaction record
HRID 138966 reaction equation
HRID 138966As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 158826 reaction equation
HRID 158826As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 686371 reaction equation
HRID 686371As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1201162 reaction equation
HRID 1201162As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1245846 reaction equation
HRID 1245846As productuspto-grants-2006_10
HRID 1291132 reaction equation
HRID 1291132As productuspto-grants-1998_05
HRID 1291133 reaction equation
HRID 1291133As reactantuspto-grants-1998_05
HRID 1291178 reaction equation
HRID 1291178As reactantuspto-grants-1998_05
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Compound notes

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