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

C17H28N2O2 — CID 107395570

IUPAC1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCN2CCCC(C)(OC)C2)c1
InChIInChI=1S/C17H28N2O2/c1-17(20-3)8-5-9-19(14-17)10-11-21-16-7-4-6-15(12-16)13-18-2/h4,6-7,12,18H,5,8-11,13-14H2,1-3H3
InChIKeyWUOQMINDWVRLFE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.29
Rot. Bonds7

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

1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 107395570) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID107395570
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCN2CCCC(C)(OC)C2)c1
InChIInChI=1S/C17H28N2O2/c1-17(20-3)8-5-9-19(14-17)10-11-21-16-7-4-6-15(12-16)13-18-2/h4,6-7,12,18H,5,8-11,13-14H2,1-3H3
InChIKeyWUOQMINDWVRLFE-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62432960
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 107394501
1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine
CID 64583405
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107396221
N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine
CID 170714096
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline
CID 107395599
1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62430706
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 107395570) is 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCCN2CCCC(C)(OC)C2)c1.
What is the InChIKey of 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is WUOQMINDWVRLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(20-3)8-5-9-19(14-17)10-11-21-16-7-4-6-15(12-16)13-18-2/h4,6-7,12,18H,5,8-11,13-14H2,1-3H3.
What are the key properties of 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107395570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).