3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol

C12H19NOS — CID 114510452

IUPAC3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1ccsc1
InChIInChI=1S/C12H19NOS/c1-2-11-8-13-5-4-12(11,14)7-10-3-6-15-9-10/h3,6,9,11,13-14H,2,4-5,7-8H2,1H3
InChIKeyHMGJAPVPDPUYJZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.04
Rot. Bonds3

About 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol

3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol (PubChem CID 114510452) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol
PubChem CID114510452
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1ccsc1
InChIInChI=1S/C12H19NOS/c1-2-11-8-13-5-4-12(11,14)7-10-3-6-15-9-10/h3,6,9,11,13-14H,2,4-5,7-8H2,1H3
InChIKeyHMGJAPVPDPUYJZ-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol (CID 114510452) is 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol is CCC1CNCCC1(O)Cc1ccsc1.
What is the InChIKey of 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol?
The InChIKey is HMGJAPVPDPUYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-11-8-13-5-4-12(11,14)7-10-3-6-15-9-10/h3,6,9,11,13-14H,2,4-5,7-8H2,1H3.
What are the key properties of 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol?
3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol has a molecular weight of 225.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 114510452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).