2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol

C13H21NOS — CID 79045002

IUPAC2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccsc1)N1CCCCC1
InChIInChI=1S/C13H21NOS/c1-13(2,14-7-4-3-5-8-14)12(15)11-6-9-16-10-11/h6,9-10,12,15H,3-5,7-8H2,1-2H3
InChIKeyMDQQXHZAGNUDGZ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.05
Rot. Bonds3

About 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol

2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol (PubChem CID 79045002) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol
PubChem CID79045002
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccsc1)N1CCCCC1
InChIInChI=1S/C13H21NOS/c1-13(2,14-7-4-3-5-8-14)12(15)11-6-9-16-10-11/h6,9-10,12,15H,3-5,7-8H2,1-2H3
InChIKeyMDQQXHZAGNUDGZ-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol (CID 79045002) is 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol is CC(C)(C(O)c1ccsc1)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol?
The InChIKey is MDQQXHZAGNUDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-13(2,14-7-4-3-5-8-14)12(15)11-6-9-16-10-11/h6,9-10,12,15H,3-5,7-8H2,1-2H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol?
2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 79045002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).