3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline

C26H37N3O2 — CID 20738719

IUPAC3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
SMILESCN1CCCCC1COc1cccc(Nc2cccc(OCC3CCCCN3C)c2)c1
InChIInChI=1S/C26H37N3O2/c1-28-15-5-3-11-23(28)19-30-25-13-7-9-21(17-25)27-22-10-8-14-26(18-22)31-20-24-12-4-6-16-29(24)2/h7-10,13-14,17-18,23-24,27H,3-6,11-12,15-16,19-20H2,1-2H3
InChIKeyGDLNXLIHPNOWFL-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.16
Rot. Bonds8

About 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline

3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline (PubChem CID 20738719) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
PubChem CID20738719
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
SMILESCN1CCCCC1COc1cccc(Nc2cccc(OCC3CCCCN3C)c2)c1
InChIInChI=1S/C26H37N3O2/c1-28-15-5-3-11-23(28)19-30-25-13-7-9-21(17-25)27-22-10-8-14-26(18-22)31-20-24-12-4-6-16-29(24)2/h7-10,13-14,17-18,23-24,27H,3-6,11-12,15-16,19-20H2,1-2H3
InChIKeyGDLNXLIHPNOWFL-UHFFFAOYSA-N
XLogP5.16
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659586
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
3-[(1-methylazetidin-2-yl)methoxy]benzamide
CID 175878992
N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65469036
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 112648511
(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline (CID 20738719) is 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline is CN1CCCCC1COc1cccc(Nc2cccc(OCC3CCCCN3C)c2)c1.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline?
The InChIKey is GDLNXLIHPNOWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-28-15-5-3-11-23(28)19-30-25-13-7-9-21(17-25)27-22-10-8-14-26(18-22)31-20-24-12-4-6-16-29(24)2/h7-10,13-14,17-18,23-24,27H,3-6,11-12,15-16,19-20H2,1-2H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline?
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline has a molecular weight of 423.60 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline is sourced from PubChem (CID 20738719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).