2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol

C16H26N2O2 — CID 107227275

IUPAC2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
SMILESNCc1ccccc1OCCN1CCCC(CCO)C1
InChIInChI=1S/C16H26N2O2/c17-12-15-5-1-2-6-16(15)20-11-9-18-8-3-4-14(13-18)7-10-19/h1-2,5-6,14,19H,3-4,7-13,17H2
InChIKeyLIQPIAQCYRPZOC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.62
Rot. Bonds7

About 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol

2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol (PubChem CID 107227275) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
PubChem CID107227275
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
SMILESNCc1ccccc1OCCN1CCCC(CCO)C1
InChIInChI=1S/C16H26N2O2/c17-12-15-5-1-2-6-16(15)20-11-9-18-8-3-4-14(13-18)7-10-19/h1-2,5-6,14,19H,3-4,7-13,17H2
InChIKeyLIQPIAQCYRPZOC-UHFFFAOYSA-N
XLogP1.62
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine
CID 62987404
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
2-[2-[(4-aminoazepan-1-yl)methyl]phenoxy]ethanol;dihydrochloride
CID 154900743
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol (CID 107227275) is 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol is NCc1ccccc1OCCN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol?
The InChIKey is LIQPIAQCYRPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-12-15-5-1-2-6-16(15)20-11-9-18-8-3-4-14(13-18)7-10-19/h1-2,5-6,14,19H,3-4,7-13,17H2.
What are the key properties of 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol?
2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).