N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline

C22H29N3O — CID 169382566

IUPACN-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline
SMILESCC1CC(C)CN(CCOc2ccc(C=NNc3ccccc3)cc2)C1
InChIInChI=1S/C22H29N3O/c1-18-14-19(2)17-25(16-18)12-13-26-22-10-8-20(9-11-22)15-23-24-21-6-4-3-5-7-21/h3-11,15,18-19,24H,12-14,16-17H2,1-2H3
InChIKeyFJZYPQJVWNZVSW-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.49
Rot. Bonds7

About N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline

N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline (PubChem CID 169382566) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline
PubChem CID169382566
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline
SMILESCC1CC(C)CN(CCOc2ccc(C=NNc3ccccc3)cc2)C1
InChIInChI=1S/C22H29N3O/c1-18-14-19(2)17-25(16-18)12-13-26-22-10-8-20(9-11-22)15-23-24-21-6-4-3-5-7-21/h3-11,15,18-19,24H,12-14,16-17H2,1-2H3
InChIKeyFJZYPQJVWNZVSW-UHFFFAOYSA-N
XLogP4.49
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
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

N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
1-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385485
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
CID 169383010
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383035
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
2-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methylpropanamide
CID 100691005
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679219
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63569886
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299047

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline (CID 169382566) is N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline is CC1CC(C)CN(CCOc2ccc(C=NNc3ccccc3)cc2)C1.
What is the InChIKey of N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline?
The InChIKey is FJZYPQJVWNZVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-14-19(2)17-25(16-18)12-13-26-22-10-8-20(9-11-22)15-23-24-21-6-4-3-5-7-21/h3-11,15,18-19,24H,12-14,16-17H2,1-2H3.
What are the key properties of N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline?
N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline has a molecular weight of 351.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).