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1-(1,4-Dioxaspiro[4.5]dec-7-ylmethyl)-4-(2-pyridinyl)piperazine

HCID 20076702
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc(N2CCN(CC3CCCC4(C3)OCCO4)CC2)nc1
InChIKey
FJZJTWYBAFJYBP-UHFFFAOYSA-N
Molecular formula
C18H27N3O2
Average molar mass
317.4 g/mol

Names & identifiers

Preferred name
1-(1,4-Dioxaspiro[4.5]dec-7-ylmethyl)-4-(2-pyridinyl)piperazine
IUPAC
1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)-4-pyridin-2-ylpiperazine

Names & synonyms

SCHEMBL7808375FJZJTWYBAFJYBP-UHFFFAOYSA-N1-(1,4-Dioxaspiro[4.5]dec-7-ylmethyl)-4-(2-pyridinyl)piperazine

Database identifiers

PubChem CID
20076702

Properties

Computed structural properties

XLogP
2
Topological polar surface area
37.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
378

Related reactions

4 records
New reaction record
HRID 938284 reaction equation
HRID 938284As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1034199 reaction equation
HRID 1034199As productuspto-grants-1994_05
HRID 1034200 reaction equation
HRID 1034200As reactantuspto-grants-1994_05
HRID 1654693 reaction equation
HRID 1654693As reactantuspto-grants-1995_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes