1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol

C16H26N2O3 — CID 117475037

IUPAC1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cccc(OC)c1OC1CCCN(C)C1
InChIInChI=1S/C16H26N2O3/c1-17-10-14(19)13-7-4-8-15(20-3)16(13)21-12-6-5-9-18(2)11-12/h4,7-8,12,14,17,19H,5-6,9-11H2,1-3H3
InChIKeyCQLNKAHQUCUSDR-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.42
Rot. Bonds6

About 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol

1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol (PubChem CID 117475037) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol
PubChem CID117475037
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cccc(OC)c1OC1CCCN(C)C1
InChIInChI=1S/C16H26N2O3/c1-17-10-14(19)13-7-4-8-15(20-3)16(13)21-12-6-5-9-18(2)11-12/h4,7-8,12,14,17,19H,5-6,9-11H2,1-3H3
InChIKeyCQLNKAHQUCUSDR-UHFFFAOYSA-N
XLogP1.42
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493379
2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid
CID 117473276
1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117470886
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117448321
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
CID 117426819
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117320446
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol (CID 117475037) is 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol is CNCC(O)c1cccc(OC)c1OC1CCCN(C)C1.
What is the InChIKey of 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol?
The InChIKey is CQLNKAHQUCUSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-17-10-14(19)13-7-4-8-15(20-3)16(13)21-12-6-5-9-18(2)11-12/h4,7-8,12,14,17,19H,5-6,9-11H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol?
1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol has a molecular weight of 294.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117475037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).