3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol

C16H23NOS — CID 55049837

IUPAC3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCCCC1CCN(Cc2sccc2C#CCO)CC1
InChIInChI=1S/C16H23NOS/c1-2-4-14-6-9-17(10-7-14)13-16-15(5-3-11-18)8-12-19-16/h8,12,14,18H,2,4,6-7,9-11,13H2,1H3
InChIKeyTUPWFJMCOICYAJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.10
Rot. Bonds4

About 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 55049837) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID55049837
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCCCC1CCN(Cc2sccc2C#CCO)CC1
InChIInChI=1S/C16H23NOS/c1-2-4-14-6-9-17(10-7-14)13-16-15(5-3-11-18)8-12-19-16/h8,12,14,18H,2,4,6-7,9-11,13H2,1H3
InChIKeyTUPWFJMCOICYAJ-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 55049837) is 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol is CCCC1CCN(Cc2sccc2C#CCO)CC1.
What is the InChIKey of 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is TUPWFJMCOICYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-4-14-6-9-17(10-7-14)13-16-15(5-3-11-18)8-12-19-16/h8,12,14,18H,2,4,6-7,9-11,13H2,1H3.
What are the key properties of 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 277.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-propylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 55049837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).