3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol

C17H23NO2 — CID 60800600

IUPAC3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
SMILESCc1ccc(OCCN2CCCCC2)c(C#CCO)c1
InChIInChI=1S/C17H23NO2/c1-15-7-8-17(16(14-15)6-5-12-19)20-13-11-18-9-3-2-4-10-18/h7-8,14,19H,2-4,9-13H2,1H3
InChIKeyRYFSQCBBEWMQIT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds4

About 3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol

3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 60800600) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
PubChem CID60800600
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
SMILESCc1ccc(OCCN2CCCCC2)c(C#CCO)c1
InChIInChI=1S/C17H23NO2/c1-15-7-8-17(16(14-15)6-5-12-19)20-13-11-18-9-3-2-4-10-18/h7-8,14,19H,2-4,9-13H2,1H3
InChIKeyRYFSQCBBEWMQIT-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-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63214707
1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899375
3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 83134389
3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 60800596
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
1-[2-[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]ethyl]piperidine
CID 104706668
3-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104706985
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 55190771
3-[2-(2-ethylsulfonylethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 54914350
3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 82891901
1-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine;oxalic acid
CID 16614087
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol (CID 60800600) is 3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol is Cc1ccc(OCCN2CCCCC2)c(C#CCO)c1.
What is the InChIKey of 3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is RYFSQCBBEWMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-15-7-8-17(16(14-15)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-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol?
3-[5-methyl-2-(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-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60800600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).