[2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol

C13H22N2O2S — CID 97453523

IUPAC[2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESCOCCC[C@H]1CCCN(c2nc(CO)cs2)C1
InChIInChI=1S/C13H22N2O2S/c1-17-7-3-5-11-4-2-6-15(8-11)13-14-12(9-16)10-18-13/h10-11,16H,2-9H2,1H3/t11-/m1/s1
InChIKeyFNKDHRDMLDIBTP-LLVKDONJSA-N
MW270.40 g/mol
LogP2.28
Rot. Bonds6

About [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol

[2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 97453523) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol
PubChem CID97453523
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESCOCCC[C@H]1CCCN(c2nc(CO)cs2)C1
InChIInChI=1S/C13H22N2O2S/c1-17-7-3-5-11-4-2-6-15(8-11)13-14-12(9-16)10-18-13/h10-11,16H,2-9H2,1H3/t11-/m1/s1
InChIKeyFNKDHRDMLDIBTP-LLVKDONJSA-N
XLogP2.28
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
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 [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol (CID 97453523) is [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol is COCCC[C@H]1CCCN(c2nc(CO)cs2)C1.
What is the InChIKey of [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is FNKDHRDMLDIBTP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-17-7-3-5-11-4-2-6-15(8-11)13-14-12(9-16)10-18-13/h10-11,16H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
[2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 97453523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).