2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol

C26H38N2O3 — CID 45180737

IUPAC2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol
SMILESCCN(Cc1cccc(OCCO)c1)CC1CCCN(CCc2cccc(OC)c2)C1
InChIInChI=1S/C26H38N2O3/c1-3-27(19-23-8-5-11-26(18-23)31-16-15-29)20-24-9-6-13-28(21-24)14-12-22-7-4-10-25(17-22)30-2/h4-5,7-8,10-11,17-18,24,29H,3,6,9,12-16,19-21H2,1-2H3
InChIKeyNIJYPIQMJSOHTR-UHFFFAOYSA-N
MW426.60 g/mol
LogP3.84
Rot. Bonds12

About 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol

2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol (PubChem CID 45180737) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol
PubChem CID45180737
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC Name2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol
SMILESCCN(Cc1cccc(OCCO)c1)CC1CCCN(CCc2cccc(OC)c2)C1
InChIInChI=1S/C26H38N2O3/c1-3-27(19-23-8-5-11-26(18-23)31-16-15-29)20-24-9-6-13-28(21-24)14-12-22-7-4-10-25(17-22)30-2/h4-5,7-8,10-11,17-18,24,29H,3,6,9,12-16,19-21H2,1-2H3
InChIKeyNIJYPIQMJSOHTR-UHFFFAOYSA-N
XLogP3.84
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol with MolForge

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Related Compounds

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine
CID 45190351
N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25274770
N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 31016991
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 45234537
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol (CID 45180737) is 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol is CCN(Cc1cccc(OCCO)c1)CC1CCCN(CCc2cccc(OC)c2)C1.
What is the InChIKey of 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol?
The InChIKey is NIJYPIQMJSOHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-3-27(19-23-8-5-11-26(18-23)31-16-15-29)20-24-9-6-13-28(21-24)14-12-22-7-4-10-25(17-22)30-2/h4-5,7-8,10-11,17-18,24,29H,3,6,9,12-16,19-21H2,1-2H3.
What are the key properties of 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol?
2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol has a molecular weight of 426.60 g/mol, XLogP of 3.84, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol is sourced from PubChem (CID 45180737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).