3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol

C17H23NO2 — CID 107913129

IUPAC3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
SMILESCN1CCCCC1CCOc1ccc(C#CCO)cc1
InChIInChI=1S/C17H23NO2/c1-18-12-3-2-6-16(18)11-14-20-17-9-7-15(8-10-17)5-4-13-19/h7-10,16,19H,2-3,6,11-14H2,1H3
InChIKeyDRAJXULLMRPOOW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds4

About 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol

3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol (PubChem CID 107913129) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
PubChem CID107913129
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
SMILESCN1CCCCC1CCOc1ccc(C#CCO)cc1
InChIInChI=1S/C17H23NO2/c1-18-12-3-2-6-16(18)11-14-20-17-9-7-15(8-10-17)5-4-13-19/h7-10,16,19H,2-3,6,11-14H2,1H3
InChIKeyDRAJXULLMRPOOW-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130
2-[2-[4-(4-chlorobut-1-ynyl)phenoxy]ethyl]-1-methylpiperidine
CID 107913150
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
CID 107912801
1-[2-[4-(3-hydroxyprop-1-ynyl)phenoxy]ethyl]-3-methylpiperidin-2-one
CID 104680297
(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912877
3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 107913167
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
CID 107913305

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol (CID 107913129) is 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol is CN1CCCCC1CCOc1ccc(C#CCO)cc1.
What is the InChIKey of 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is DRAJXULLMRPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-12-3-2-6-16(18)11-14-20-17-9-7-15(8-10-17)5-4-13-19/h7-10,16,19H,2-3,6,11-14H2,1H3.
What are the key properties of 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 107913129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).