(Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine

C20H24ClN3O — CID 11849268

IUPAC(Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20-
InChIKeyNVASSRJOXRMBMU-ATJXCDBQSA-N
MW357.89 g/mol
LogP4.36
Rot. Bonds6

About (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine

(Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine (PubChem CID 11849268) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
PubChem CID11849268
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name(Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20-
InChIKeyNVASSRJOXRMBMU-ATJXCDBQSA-N
XLogP4.36
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Loratadine
CID 3957
(+-)-Chlorpheniramine
CID 2725
Desloratadine
CID 124087
Dexchlorpheniramine
CID 33036
Dexchlorpheniramine Maleate
CID 5281070
Pheniramine
CID 4761
Chlorpheniramine Maleate
CID 5281068
Rupatadine
CID 133017
Chlorphenamine Maleate
CID 6433151
Pyrifenox
CID 55790
Sch 37370
CID 60680
Sch 40338
CID 9950564

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine (CID 11849268) is (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine is CO/N=C(/CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The InChIKey is NVASSRJOXRMBMU-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20-.
What are the key properties of (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
(Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine has a molecular weight of 357.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 11849268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).