1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine

C16H26N2O2 — CID 102968100

IUPAC1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCN2CCCC(OC)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-17-12-14-5-7-15(8-6-14)20-11-10-18-9-3-4-16(13-18)19-2/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyLXTDTXLOURHECK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds7

About 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 102968100) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID102968100
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCN2CCCC(OC)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-17-12-14-5-7-15(8-6-14)20-11-10-18-9-3-4-16(13-18)19-2/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyLXTDTXLOURHECK-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62431792
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246
1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62413368
4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide
CID 102958539
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
3-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 102958115
2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol
CID 10299856
N-methyl-1-[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413327
3-[4-[2-(3-methoxypyrrolidin-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 103537583
methyl (3S)-1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxylate
CID 79037643

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 102968100) is 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCCN2CCCC(OC)C2)cc1.
What is the InChIKey of 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is LXTDTXLOURHECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-12-14-5-7-15(8-6-14)20-11-10-18-9-3-4-16(13-18)19-2/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102968100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).