(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol

C12H19NOS — CID 81156188

IUPAC(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol
SMILESCc1cc(C)c(C(O)C2CCNCC2)s1
InChIInChI=1S/C12H19NOS/c1-8-7-9(2)15-12(8)11(14)10-3-5-13-6-4-10/h7,10-11,13-14H,3-6H2,1-2H3
InChIKeyRHYCMZVFKQIXJO-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.40
Rot. Bonds2

About (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol

(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol (PubChem CID 81156188) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol
PubChem CID81156188
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol
SMILESCc1cc(C)c(C(O)C2CCNCC2)s1
InChIInChI=1S/C12H19NOS/c1-8-7-9(2)15-12(8)11(14)10-3-5-13-6-4-10/h7,10-11,13-14H,3-6H2,1-2H3
InChIKeyRHYCMZVFKQIXJO-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol?
The IUPAC name of (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol (CID 81156188) is (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol is Cc1cc(C)c(C(O)C2CCNCC2)s1.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol?
The InChIKey is RHYCMZVFKQIXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8-7-9(2)15-12(8)11(14)10-3-5-13-6-4-10/h7,10-11,13-14H,3-6H2,1-2H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol?
(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol has a molecular weight of 225.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol is sourced from PubChem (CID 81156188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).