(E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C19H22F2N4O — CID 11164276

IUPAC(E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C19H22F2N4O/c1-26-23-18(15-12-16(20)14-17(21)13-15)5-7-24-8-10-25(11-9-24)19-4-2-3-6-22-19/h2-4,6,12-14H,5,7-11H2,1H3/b23-18+
InChIKeyDWXTXKLKQKWXGL-PTGBLXJZSA-N
MW360.41 g/mol
LogP2.92
Rot. Bonds6

About (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

(E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11164276) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11164276
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C19H22F2N4O/c1-26-23-18(15-12-16(20)14-17(21)13-15)5-7-24-8-10-25(11-9-24)19-4-2-3-6-22-19/h2-4,6,12-14H,5,7-11H2,1H3/b23-18+
InChIKeyDWXTXKLKQKWXGL-PTGBLXJZSA-N
XLogP2.92
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 5587
Blonanserin
CID 125564
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Tripelennamine Hydrochloride
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N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
(-)-Mirtazapine
CID 3085219
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
Esmirtazapine
CID 3085218
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
Arylsulfonylpiperazine, 6
CID 44237014
N-{(E)-[4-(propan-2-yl)phenyl]methylidene}-4-(pyridin-2-yl)piperazin-1-amine
CID 5342699
N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
CID 5342813

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11164276) is (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1.
What is the InChIKey of (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is DWXTXKLKQKWXGL-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-26-23-18(15-12-16(20)14-17(21)13-15)5-7-24-8-10-25(11-9-24)19-4-2-3-6-22-19/h2-4,6,12-14H,5,7-11H2,1H3/b23-18+.
What are the key properties of (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 360.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-difluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11164276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).