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N-(3-benzhydroxypropyl)piperazine

HCID 22110970
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
c1ccc(C(OCCCN2CCNCC2)c2ccccc2)cc1
InChIKey
QZPPWEOXIVWVIC-UHFFFAOYSA-N
Molecular formula
C20H26N2O
Average molar mass
310.4 g/mol

Names & identifiers

Preferred name
N-(3-benzhydroxypropyl)piperazine
IUPAC
1-(3-benzhydryloxypropyl)piperazine

Names & synonyms

SCHEMBL6985333N-(3-benzhydroxypropyl)piperazineQZPPWEOXIVWVIC-UHFFFAOYSA-NN-(3-benzhydroxypropyl) piperazine1-[3-(diphenylmethoxy)propyl]piperazine

Database identifiers

PubChem CID
22110970

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
24.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
23
Formal charge
0
Complexity
287

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Related reactions

6 records
New reaction record
HRID 565633 reaction equation
HRID 565633As productuspto-grants-2001_01
HRID 652963 reaction equation
HRID 652963As reactantuspto-grants-1987_06
HRID 652967 reaction equation
HRID 652967As reactantuspto-grants-1987_06
HRID 652970 reaction equation
HRID 652970As reactantuspto-grants-1987_06
HRID 652972 reaction equation
HRID 652972As reactantuspto-grants-1987_06
HRID 2346156 reaction equation
HRID 2346156As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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