(3R,4S)-4-thiophen-2-ylpiperidin-3-ol

C9H13NOS — CID 69452815

IUPAC(3R,4S)-4-thiophen-2-ylpiperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1c1cccs1
InChIInChI=1S/C9H13NOS/c11-8-6-10-4-3-7(8)9-2-1-5-12-9/h1-2,5,7-8,10-11H,3-4,6H2/t7-,8-/m0/s1
InChIKeyMJSFZFPAUSARQI-YUMQZZPRSA-N
MW183.28 g/mol
LogP1.19
Rot. Bonds1

About (3R,4S)-4-thiophen-2-ylpiperidin-3-ol

(3R,4S)-4-thiophen-2-ylpiperidin-3-ol (PubChem CID 69452815) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (3R,4S)-4-thiophen-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-thiophen-2-ylpiperidin-3-ol
PubChem CID69452815
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(3R,4S)-4-thiophen-2-ylpiperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1c1cccs1
InChIInChI=1S/C9H13NOS/c11-8-6-10-4-3-7(8)9-2-1-5-12-9/h1-2,5,7-8,10-11H,3-4,6H2/t7-,8-/m0/s1
InChIKeyMJSFZFPAUSARQI-YUMQZZPRSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-thiophen-2-ylpiperidin-3-ol?
The IUPAC name of (3R,4S)-4-thiophen-2-ylpiperidin-3-ol (CID 69452815) is (3R,4S)-4-thiophen-2-ylpiperidin-3-ol.
What is the SMILES notation for (3R,4S)-4-thiophen-2-ylpiperidin-3-ol?
The canonical SMILES for (3R,4S)-4-thiophen-2-ylpiperidin-3-ol is O[C@H]1CNCC[C@@H]1c1cccs1.
What is the InChIKey of (3R,4S)-4-thiophen-2-ylpiperidin-3-ol?
The InChIKey is MJSFZFPAUSARQI-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H13NOS/c11-8-6-10-4-3-7(8)9-2-1-5-12-9/h1-2,5,7-8,10-11H,3-4,6H2/t7-,8-/m0/s1.
What are the key properties of (3R,4S)-4-thiophen-2-ylpiperidin-3-ol?
(3R,4S)-4-thiophen-2-ylpiperidin-3-ol has a molecular weight of 183.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-thiophen-2-ylpiperidin-3-ol is sourced from PubChem (CID 69452815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).