2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol

C17H27ClN2O2 — CID 83974682

IUPAC2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
SMILESCCOc1ccc(Cl)cc1C(CN)C1CCN(CCO)CC1
InChIInChI=1S/C17H27ClN2O2/c1-2-22-17-4-3-14(18)11-15(17)16(12-19)13-5-7-20(8-6-13)9-10-21/h3-4,11,13,16,21H,2,5-10,12,19H2,1H3
InChIKeyRHPMIELJGIYQTB-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.49
Rot. Bonds7

About 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol

2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol (PubChem CID 83974682) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
PubChem CID83974682
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
SMILESCCOc1ccc(Cl)cc1C(CN)C1CCN(CCO)CC1
InChIInChI=1S/C17H27ClN2O2/c1-2-22-17-4-3-14(18)11-15(17)16(12-19)13-5-7-20(8-6-13)9-10-21/h3-4,11,13,16,21H,2,5-10,12,19H2,1H3
InChIKeyRHPMIELJGIYQTB-UHFFFAOYSA-N
XLogP2.49
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974680
2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974799
2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83974722
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493
2-(2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974409
(2S)-2-(5-chloro-2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetic acid
CID 97204833
[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol
CID 83974412
2-(5-tert-butyl-2-ethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83974980
2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83974261
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
1-[(5-chloro-2-ethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
CID 3266859

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol (CID 83974682) is 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol is CCOc1ccc(Cl)cc1C(CN)C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol?
The InChIKey is RHPMIELJGIYQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2/c1-2-22-17-4-3-14(18)11-15(17)16(12-19)13-5-7-20(8-6-13)9-10-21/h3-4,11,13,16,21H,2,5-10,12,19H2,1H3.
What are the key properties of 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol?
2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol has a molecular weight of 326.87 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 83974682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).