[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol

C15H23NO2 — CID 60645197

IUPAC[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
SMILESCc1ccccc1OCCN1CCCC(CO)C1
InChIInChI=1S/C15H23NO2/c1-13-5-2-3-7-15(13)18-10-9-16-8-4-6-14(11-16)12-17/h2-3,5,7,14,17H,4,6,8-12H2,1H3
InChIKeyQYZHLMWIMYQOGL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.08
Rot. Bonds5

About [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol

[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol (PubChem CID 60645197) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
PubChem CID60645197
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
SMILESCc1ccccc1OCCN1CCCC(CO)C1
InChIInChI=1S/C15H23NO2/c1-13-5-2-3-7-15(13)18-10-9-16-8-4-6-14(11-16)12-17/h2-3,5,7,14,17H,4,6,8-12H2,1H3
InChIKeyQYZHLMWIMYQOGL-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol
CID 111463147
1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978976
(3R)-1-[3-[3-[3-[3-[3-(hydroxymethyl)piperidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]pyrrolidin-3-ol
CID 134282554
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
CID 107227275
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
CID 86869655
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442606

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol (CID 60645197) is [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol is Cc1ccccc1OCCN1CCCC(CO)C1.
What is the InChIKey of [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol?
The InChIKey is QYZHLMWIMYQOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-5-2-3-7-15(13)18-10-9-16-8-4-6-14(11-16)12-17/h2-3,5,7,14,17H,4,6,8-12H2,1H3.
What are the key properties of [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol?
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60645197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).