2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol

C16H26N2O2 — CID 81134246

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2CCCC(C(C)N)C2)c1
InChIInChI=1S/C16H26N2O2/c1-12(17)14-6-4-8-18(10-14)11-16(19)13-5-3-7-15(9-13)20-2/h3,5,7,9,12,14,16,19H,4,6,8,10-11,17H2,1-2H3
InChIKeyUIFOACXSPRVADH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.79
Rot. Bonds5

About 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol

2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134246) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
PubChem CID81134246
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2CCCC(C(C)N)C2)c1
InChIInChI=1S/C16H26N2O2/c1-12(17)14-6-4-8-18(10-14)11-16(19)13-5-3-7-15(9-13)20-2/h3,5,7,9,12,14,16,19H,4,6,8,10-11,17H2,1-2H3
InChIKeyUIFOACXSPRVADH-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-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
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-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684103
N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 111379146
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 119595798
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 16788275
2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol
CID 115666571
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol (CID 81134246) is 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CN2CCCC(C(C)N)C2)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The InChIKey is UIFOACXSPRVADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(17)14-6-4-8-18(10-14)11-16(19)13-5-3-7-15(9-13)20-2/h3,5,7,9,12,14,16,19H,4,6,8,10-11,17H2,1-2H3.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
2-[3-(1-aminoethyl)piperidin-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-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).