[4-(3-Azetidinyl)-1-piperazinyl]phenylmethanone

HCID 21836554

Notes Reactions

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Basic information

CAS: 178312-68-0
Standard SMILES: O=C(c1ccccc1)N1CCN(C2CNC2)CC1
InChIKey: ZSEFVQKPWKNJBQ-UHFFFAOYSA-N
Molecular formula: C14H19N3O
Average molar mass: 245.32 g/mol
Monoisotopic mass: 245.15281223

Names & identifiers

Preferred name: [4-(3-Azetidinyl)-1-piperazinyl]phenylmethanone
IUPAC: [4-(azetidin-3-yl)piperazin-1-yl]-phenylmethanone

Names & synonyms

(4-(azetidin-3-yl)piperazin-1-yl)(phenyl)methanone[4-(Azetidin-3-yl)piperazin-1-yl](phenyl)methanone[4-(3-Azetidinyl)-1-piperazinyl]phenylmethanoneSCHEMBL693046TQP0971DTXSID001243122AKOS015151335178312-68-0

Database identifiers

CAS: 178312-68-0
PubChem CID: 21836554
DTXSID: DTXSID001243122

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 35.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 289

Related reactions

1 records

New reaction record

HRID 103209As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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