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

C10H15NOS — CID 54311778

IUPAC(3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol
SMILESC[C@H]1CNCC[C@@]1(O)c1cccs1
InChIInChI=1S/C10H15NOS/c1-8-7-11-5-4-10(8,12)9-3-2-6-13-9/h2-3,6,8,11-12H,4-5,7H2,1H3/t8-,10-/m0/s1
InChIKeySLKDGCWGSBDUBO-WPRPVWTQSA-N
MW197.30 g/mol
LogP1.57
Rot. Bonds1

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

(3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol (PubChem CID 54311778) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol
PubChem CID54311778
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol
SMILESC[C@H]1CNCC[C@@]1(O)c1cccs1
InChIInChI=1S/C10H15NOS/c1-8-7-11-5-4-10(8,12)9-3-2-6-13-9/h2-3,6,8,11-12H,4-5,7H2,1H3/t8-,10-/m0/s1
InChIKeySLKDGCWGSBDUBO-WPRPVWTQSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol?
The IUPAC name of (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol (CID 54311778) is (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol is C[C@H]1CNCC[C@@]1(O)c1cccs1.
What is the InChIKey of (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol?
The InChIKey is SLKDGCWGSBDUBO-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8-7-11-5-4-10(8,12)9-3-2-6-13-9/h2-3,6,8,11-12H,4-5,7H2,1H3/t8-,10-/m0/s1.
What are the key properties of (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol?
(3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol has a molecular weight of 197.30 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-4-thiophen-2-ylpiperidin-4-ol is sourced from PubChem (CID 54311778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).