N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

C25H35FN2O3 — CID 42157993

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCN(Cc1cc(OC)ccc1OC)CC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H35FN2O3/c1-29-15-14-28(19-22-16-23(30-2)8-9-25(22)31-3)17-20-10-12-27(13-11-20)18-21-6-4-5-7-24(21)26/h4-9,16,20H,10-15,17-19H2,1-3H3
InChIKeyOBGIEODUEYKAIW-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.20
Rot. Bonds11

About N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 42157993) has the molecular formula C25H35FN2O3 and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID42157993
Molecular FormulaC25H35FN2O3
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCN(Cc1cc(OC)ccc1OC)CC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H35FN2O3/c1-29-15-14-28(19-22-16-23(30-2)8-9-25(22)31-3)17-20-10-12-27(13-11-20)18-21-6-4-5-7-24(21)26/h4-9,16,20H,10-15,17-19H2,1-3H3
InChIKeyOBGIEODUEYKAIW-UHFFFAOYSA-N
XLogP4.20
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 42212133
N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 42212099
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 25378961
1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine
CID 7357181
2-(2-chlorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42592902
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
CID 42343578
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-4-methoxyphenol
CID 42591152
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 25386348
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (CID 42157993) is N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is COCCN(Cc1cc(OC)ccc1OC)CC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is OBGIEODUEYKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O3/c1-29-15-14-28(19-22-16-23(30-2)8-9-25(22)31-3)17-20-10-12-27(13-11-20)18-21-6-4-5-7-24(21)26/h4-9,16,20H,10-15,17-19H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 430.56 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 42157993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).