2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol

C14H23NOS — CID 79044854

IUPAC2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
SMILESCc1cc(C(O)C(C)(C)N2CCCCC2)cs1
InChIInChI=1S/C14H23NOS/c1-11-9-12(10-17-11)13(16)14(2,3)15-7-5-4-6-8-15/h9-10,13,16H,4-8H2,1-3H3
InChIKeyOOOPWNSYVWLXTG-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol

2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol (PubChem CID 79044854) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
PubChem CID79044854
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
SMILESCc1cc(C(O)C(C)(C)N2CCCCC2)cs1
InChIInChI=1S/C14H23NOS/c1-11-9-12(10-17-11)13(16)14(2,3)15-7-5-4-6-8-15/h9-10,13,16H,4-8H2,1-3H3
InChIKeyOOOPWNSYVWLXTG-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol (CID 79044854) is 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol is Cc1cc(C(O)C(C)(C)N2CCCCC2)cs1.
What is the InChIKey of 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol?
The InChIKey is OOOPWNSYVWLXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-9-12(10-17-11)13(16)14(2,3)15-7-5-4-6-8-15/h9-10,13,16H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol?
2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 79044854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).