[(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol

C11H17NOS — CID 767825

IUPAC[(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1Cc1ccsc1
InChIInChI=1S/C11H17NOS/c13-8-11-3-1-2-5-12(11)7-10-4-6-14-9-10/h4,6,9,11,13H,1-3,5,7-8H2/t11-/m0/s1
InChIKeyDGPMZRYXOPFBIB-NSHDSACASA-N
MW211.33 g/mol
LogP2.09
Rot. Bonds3

About [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol

[(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol (PubChem CID 767825) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol
PubChem CID767825
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name[(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1Cc1ccsc1
InChIInChI=1S/C11H17NOS/c13-8-11-3-1-2-5-12(11)7-10-4-6-14-9-10/h4,6,9,11,13H,1-3,5,7-8H2/t11-/m0/s1
InChIKeyDGPMZRYXOPFBIB-NSHDSACASA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol (CID 767825) is [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol is OC[C@@H]1CCCCN1Cc1ccsc1.
What is the InChIKey of [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol?
The InChIKey is DGPMZRYXOPFBIB-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NOS/c13-8-11-3-1-2-5-12(11)7-10-4-6-14-9-10/h4,6,9,11,13H,1-3,5,7-8H2/t11-/m0/s1.
What are the key properties of [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol?
[(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol has a molecular weight of 211.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 767825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).