N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine

C22H27FN2O2 — CID 23878734

IUPACN-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
SMILESCOc1cc(C=NN2C(C)CCCC2C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-16-5-4-6-17(2)25(16)24-14-19-9-12-21(22(13-19)26-3)27-15-18-7-10-20(23)11-8-18/h7-14,16-17H,4-6,15H2,1-3H3
InChIKeyDRSNYIVVFJMCIP-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.01
Rot. Bonds6

About N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine

N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine (PubChem CID 23878734) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
PubChem CID23878734
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
SMILESCOc1cc(C=NN2C(C)CCCC2C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-16-5-4-6-17(2)25(16)24-14-19-9-12-21(22(13-19)26-3)27-15-18-7-10-20(23)11-8-18/h7-14,16-17H,4-6,15H2,1-3H3
InChIKeyDRSNYIVVFJMCIP-UHFFFAOYSA-N
XLogP5.01
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine
CID 11926003
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 9012674
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
CID 135692372
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
2-[4-[(Z)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 9012679
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
methyl N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 9075501
6-amino-1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376481
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
2-cyclohexyl-3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126309535
[4-[(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 23800450
1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 51342273

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine (CID 23878734) is N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine is COc1cc(C=NN2C(C)CCCC2C)ccc1OCc1ccc(F)cc1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The InChIKey is DRSNYIVVFJMCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16-5-4-6-17(2)25(16)24-14-19-9-12-21(22(13-19)26-3)27-15-18-7-10-20(23)11-8-18/h7-14,16-17H,4-6,15H2,1-3H3.
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine has a molecular weight of 370.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine is sourced from PubChem (CID 23878734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).