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

C17H23NO2 — CID 107913130

IUPAC3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
SMILESCN1CCCCC1CCOc1cccc(C#CCO)c1
InChIInChI=1S/C17H23NO2/c1-18-11-3-2-8-16(18)10-13-20-17-9-4-6-15(14-17)7-5-12-19/h4,6,9,14,16,19H,2-3,8,10-13H2,1H3
InChIKeyBPACUTSCFBNEED-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds4

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

3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol (PubChem CID 107913130) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
PubChem CID107913130
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
SMILESCN1CCCCC1CCOc1cccc(C#CCO)c1
InChIInChI=1S/C17H23NO2/c1-18-11-3-2-8-16(18)10-13-20-17-9-4-6-15(14-17)7-5-12-19/h4,6,9,14,16,19H,2-3,8,10-13H2,1H3
InChIKeyBPACUTSCFBNEED-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-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
3-[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 63623569
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
2-[2-[4-(4-chlorobut-1-ynyl)phenoxy]ethyl]-1-methylpiperidine
CID 107913150
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 62383394
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol (CID 107913130) is 3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol is CN1CCCCC1CCOc1cccc(C#CCO)c1.
What is the InChIKey of 3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is BPACUTSCFBNEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-11-3-2-8-16(18)10-13-20-17-9-4-6-15(14-17)7-5-12-19/h4,6,9,14,16,19H,2-3,8,10-13H2,1H3.
What are the key properties of 3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
3-[3-[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-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 107913130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).