2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol

C18H30N2O3 — CID 10990902

IUPAC2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
SMILESOCCN(CCO)Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O3/c21-13-10-20(11-14-22)16-17-4-6-18(7-5-17)23-15-12-19-8-2-1-3-9-19/h4-7,21-22H,1-3,8-16H2
InChIKeyRJPRQLWAKBHATM-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.34
Rot. Bonds10

About 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol (PubChem CID 10990902) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
PubChem CID10990902
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
SMILESOCCN(CCO)Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O3/c21-13-10-20(11-14-22)16-17-4-6-18(7-5-17)23-15-12-19-8-2-1-3-9-19/h4-7,21-22H,1-3,8-16H2
InChIKeyRJPRQLWAKBHATM-UHFFFAOYSA-N
XLogP1.34
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427
1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;1,2-dichloroethane;[4-(2-piperidin-1-ylethoxy)phenyl]methanol;thionyl dichloride
CID 159224641

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol (CID 10990902) is 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol is OCCN(CCO)Cc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol?
The InChIKey is RJPRQLWAKBHATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c21-13-10-20(11-14-22)16-17-4-6-18(7-5-17)23-15-12-19-8-2-1-3-9-19/h4-7,21-22H,1-3,8-16H2.
What are the key properties of 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol has a molecular weight of 322.45 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 10990902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).