3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol

C17H23NO2 — CID 83134389

IUPAC3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
SMILESCc1cc(OCCN2CCCCC2)ccc1C#CCO
InChIInChI=1S/C17H23NO2/c1-15-14-17(8-7-16(15)6-5-12-19)20-13-11-18-9-3-2-4-10-18/h7-8,14,19H,2-4,9-13H2,1H3
InChIKeyILQDYNWUZLONEN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds4

About 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol

3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 83134389) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
PubChem CID83134389
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
SMILESCc1cc(OCCN2CCCCC2)ccc1C#CCO
InChIInChI=1S/C17H23NO2/c1-15-14-17(8-7-16(15)6-5-12-19)20-13-11-18-9-3-2-4-10-18/h7-8,14,19H,2-4,9-13H2,1H3
InChIKeyILQDYNWUZLONEN-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 83134569
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol
CID 83134949
3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60800600
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
CID 166906888
3-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63214707
1-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]piperidine
CID 65201769
3-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 81326509
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
CID 83137255
3-[2-methyl-4-(oxan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 83134156

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol (CID 83134389) is 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol is Cc1cc(OCCN2CCCCC2)ccc1C#CCO.
What is the InChIKey of 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is ILQDYNWUZLONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-15-14-17(8-7-16(15)6-5-12-19)20-13-11-18-9-3-2-4-10-18/h7-8,14,19H,2-4,9-13H2,1H3.
What are the key properties of 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol?
3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 83134389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).