2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol

C16H26N2O2 — CID 81134628

IUPAC2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2CC(CN)CCC2C)c1
InChIInChI=1S/C16H26N2O2/c1-12-6-7-13(9-17)10-18(12)11-16(19)14-4-3-5-15(8-14)20-2/h3-5,8,12-13,16,19H,6-7,9-11,17H2,1-2H3
InChIKeyWQNCXLMAALGEDL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.79
Rot. Bonds5

About 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol

2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134628) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol
PubChem CID81134628
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2CC(CN)CCC2C)c1
InChIInChI=1S/C16H26N2O2/c1-12-6-7-13(9-17)10-18(12)11-16(19)14-4-3-5-15(8-14)20-2/h3-5,8,12-13,16,19H,6-7,9-11,17H2,1-2H3
InChIKeyWQNCXLMAALGEDL-UHFFFAOYSA-N
XLogP1.79
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 119484020
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol (CID 81134628) is 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CN2CC(CN)CCC2C)c1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The InChIKey is WQNCXLMAALGEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-6-7-13(9-17)10-18(12)11-16(19)14-4-3-5-15(8-14)20-2/h3-5,8,12-13,16,19H,6-7,9-11,17H2,1-2H3.
What are the key properties of 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).