2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol

C12H19NOS — CID 155302506

IUPAC2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol
SMILESCC1CC(O)CCN1CCc1ccsc1
InChIInChI=1S/C12H19NOS/c1-10-8-12(14)3-6-13(10)5-2-11-4-7-15-9-11/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3
InChIKeyKBEQAMHDTZFNSR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.14
Rot. Bonds3

About 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol

2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol (PubChem CID 155302506) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol
PubChem CID155302506
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol
SMILESCC1CC(O)CCN1CCc1ccsc1
InChIInChI=1S/C12H19NOS/c1-10-8-12(14)3-6-13(10)5-2-11-4-7-15-9-11/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3
InChIKeyKBEQAMHDTZFNSR-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol?
The IUPAC name of 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol (CID 155302506) is 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol.
What is the SMILES notation for 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol?
The canonical SMILES for 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol is CC1CC(O)CCN1CCc1ccsc1.
What is the InChIKey of 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol?
The InChIKey is KBEQAMHDTZFNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-8-12(14)3-6-13(10)5-2-11-4-7-15-9-11/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3.
What are the key properties of 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol?
2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol has a molecular weight of 225.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-thiophen-3-ylethyl)piperidin-4-ol is sourced from PubChem (CID 155302506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).