1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine

C19H19ClN2O2 — CID 3562864

IUPAC1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine
SMILESClc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1N1CCCCC1
InChIInChI=1S/C19H19ClN2O2/c20-16-11-15(5-6-17(16)22-8-2-1-3-9-22)21-12-14-4-7-18-19(10-14)24-13-23-18/h4-7,10-12H,1-3,8-9,13H2/b21-12+
InChIKeyAKCYTHLTOKTAKC-CIAFOILYSA-N
MW342.83 g/mol
LogP4.81
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine

1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine (PubChem CID 3562864) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine
PubChem CID3562864
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine
SMILESClc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1N1CCCCC1
InChIInChI=1S/C19H19ClN2O2/c20-16-11-15(5-6-17(16)22-8-2-1-3-9-22)21-12-14-4-7-18-19(10-14)24-13-23-18/h4-7,10-12H,1-3,8-9,13H2/b21-12+
InChIKeyAKCYTHLTOKTAKC-CIAFOILYSA-N
XLogP4.81
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-benzodioxol-5-ylmethylideneamino)-N,N-bis(2-methylpropyl)-2-piperidin-1-ylbenzenesulfonamide
CID 94849754
1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine
CID 714703
N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126139532
(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol
CID 92537798
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine
CID 23766843
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126072584
N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 23934132
N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126072704
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine
CID 71525202
1-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-pyridinyl)methanimine
CID 6611674

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine (CID 3562864) is 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine is Clc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1N1CCCCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine?
The InChIKey is AKCYTHLTOKTAKC-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-11-15(5-6-17(16)22-8-2-1-3-9-22)21-12-14-4-7-18-19(10-14)24-13-23-18/h4-7,10-12H,1-3,8-9,13H2/b21-12+.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine?
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine has a molecular weight of 342.83 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine is sourced from PubChem (CID 3562864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).