1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine

C20H28N4O — CID 67412800

IUPAC1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
SMILESCCCCCOc1ccccc1C(=NN1CCCCC1)n1ccnc1
InChIInChI=1S/C20H28N4O/c1-2-3-9-16-25-19-11-6-5-10-18(19)20(23-15-12-21-17-23)22-24-13-7-4-8-14-24/h5-6,10-12,15,17H,2-4,7-9,13-14,16H2,1H3
InChIKeyAWYLZAQXDYVFHH-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.15
Rot. Bonds7

About 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine

1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine (PubChem CID 67412800) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
PubChem CID67412800
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
SMILESCCCCCOc1ccccc1C(=NN1CCCCC1)n1ccnc1
InChIInChI=1S/C20H28N4O/c1-2-3-9-16-25-19-11-6-5-10-18(19)20(23-15-12-21-17-23)22-24-13-7-4-8-14-24/h5-6,10-12,15,17H,2-4,7-9,13-14,16H2,1H3
InChIKeyAWYLZAQXDYVFHH-UHFFFAOYSA-N
XLogP4.15
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(azepan-1-yl)-1-imidazol-1-yl-1-(2-octoxyphenyl)methanimine
CID 67412141
[2-[(Z)-C-imidazol-1-yl-N-piperidin-1-ylcarbonimidoyl]phenyl] acetate
CID 87389245
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole
CID 70426848
1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
CID 4459
1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
CID 3007515
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;2H-triazole
CID 174953338
1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole
CID 10425029
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
4-[2-[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenoxy]ethyl]-N,N-dimethylaniline
CID 67413593
2-[imidazol-1-yl-[2-(4-phenoxybutoxy)phenyl]methylidene]pyrrolidin-1-amine
CID 67412784

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine?
The IUPAC name of 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine (CID 67412800) is 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine is CCCCCOc1ccccc1C(=NN1CCCCC1)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine?
The InChIKey is AWYLZAQXDYVFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-3-9-16-25-19-11-6-5-10-18(19)20(23-15-12-21-17-23)22-24-13-7-4-8-14-24/h5-6,10-12,15,17H,2-4,7-9,13-14,16H2,1H3.
What are the key properties of 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine?
1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine has a molecular weight of 340.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 67412800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).