1-[4-Methoxy-3,5-dimethylbenzyl]-4-[3-(2-propenylamino)-2-pyridinyl]piperazine

HCID 489463

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Basic information

CAS: 136831-14-6
Standard SMILES: C=CCNc1cccnc1N1CCN(Cc2cc(C)c(OC)c(C)c2)CC1
InChIKey: TYHNNTJMMLTELY-UHFFFAOYSA-N
Molecular formula: C22H30N4O
Average molar mass: 366.5 g/mol
Monoisotopic mass: 366.24196159

Names & identifiers

Preferred name: 1-[4-Methoxy-3,5-dimethylbenzyl]-4-[3-(2-propenylamino)-2-pyridinyl]piperazine
IUPAC: 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridin-3-amine

Names & synonyms

1-[4-Methoxy-3,5-dimethylbenzyl]-4-[3-(2-propenylamino)-2-pyridinyl]piperazineDTXSID201123403136831-14-62-[4-[(4-Methoxy-3,5-dimethylphenyl)methyl]-1-piperazinyl]-N-2-propen-1-yl-3-pyridinamineN-allyl-2-[4-[(4-methoxy-3,5-dimethyl-phenyl)methyl]piperazin-1-yl]pyridin-3-amine2-{4-[(4-Methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl}-N-(prop-2-en-1-yl)pyridin-3-amine3-Pyridinamine, 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-piperazinyl]-N-(2-propenyl)-

Database identifiers

CAS: 136831-14-6
PubChem CID: 489463
DTXSID: DTXSID201123403

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 440

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