[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol

C12H21N3OS — CID 131893362

IUPAC[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCNCc2nccs2)C1
InChIInChI=1S/C12H21N3OS/c16-10-11-2-1-5-15(9-11)6-3-13-8-12-14-4-7-17-12/h4,7,11,13,16H,1-3,5-6,8-10H2
InChIKeyXTHHZMLYMDEHLU-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.94
Rot. Bonds6

About [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol

[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol (PubChem CID 131893362) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol
PubChem CID131893362
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCNCc2nccs2)C1
InChIInChI=1S/C12H21N3OS/c16-10-11-2-1-5-15(9-11)6-3-13-8-12-14-4-7-17-12/h4,7,11,13,16H,1-3,5-6,8-10H2
InChIKeyXTHHZMLYMDEHLU-UHFFFAOYSA-N
XLogP0.94
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol (CID 131893362) is [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol is OCC1CCCN(CCNCc2nccs2)C1.
What is the InChIKey of [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol?
The InChIKey is XTHHZMLYMDEHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c16-10-11-2-1-5-15(9-11)6-3-13-8-12-14-4-7-17-12/h4,7,11,13,16H,1-3,5-6,8-10H2.
What are the key properties of [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol?
[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol has a molecular weight of 255.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 131893362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).