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{1-[1-(Diphenylmethyl)azetidin-3-yl]-piperazin-2-yl}methanol

HCID 59625873
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCC1CNCCN1C1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey
DTLSEHNYDPDOCH-UHFFFAOYSA-N
Molecular formula
C21H27N3O
Average molar mass
337.5 g/mol
Monoisotopic mass
337.21541249

Names & identifiers

Preferred name
{1-[1-(Diphenylmethyl)azetidin-3-yl]-piperazin-2-yl}methanol
IUPAC
[1-(1-benzhydrylazetidin-3-yl)piperazin-2-yl]methanol

Names & synonyms

SCHEMBL693179DTLSEHNYDPDOCH-UHFFFAOYSA-N{1-[1-(Diphenylmethyl)azetidin-3-yl]-piperazin-2-yl}methanol{1[1-(Diphenylmethyl)azetidin-3-yl]-piperazin-2-yl}methanol

Database identifiers

PubChem CID
59625873

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
38.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
382

Related reactions

9 records
New reaction record
HRID 401670 reaction equation
HRID 401670As reactantuspto-grants-2014_06
HRID 468140 reaction equation
HRID 468140As reactantuspto-grants-2014_01
HRID 1023091 reaction equation
HRID 1023091As reactantuspto-grants-2014_05
HRID 1130055 reaction equation
HRID 1130055As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1852624 reaction equation
HRID 1852624As reactantuspto-grants-2015_02
HRID 1911155 reaction equation
HRID 1911155As reactantuspto-grants-2013_12
HRID 2362085 reaction equation
HRID 2362085As reactantuspto-grants-2014_04
HRID 2365323 reaction equation
HRID 2365323As reactantuspto-grants-2014_04
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Compound notes

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