[(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol

C13H22N2OS — CID 97127437

IUPAC[(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESCCC[C@]1(CO)CCCN(Cc2nccs2)C1
InChIInChI=1S/C13H22N2OS/c1-2-4-13(11-16)5-3-7-15(10-13)9-12-14-6-8-17-12/h6,8,16H,2-5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyQGXYSNVHDLMWRI-ZDUSSCGKSA-N
MW254.40 g/mol
LogP2.52
Rot. Bonds5

About [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol

[(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 97127437) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID97127437
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESCCC[C@]1(CO)CCCN(Cc2nccs2)C1
InChIInChI=1S/C13H22N2OS/c1-2-4-13(11-16)5-3-7-15(10-13)9-12-14-6-8-17-12/h6,8,16H,2-5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyQGXYSNVHDLMWRI-ZDUSSCGKSA-N
XLogP2.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol (CID 97127437) is [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol is CCC[C@]1(CO)CCCN(Cc2nccs2)C1.
What is the InChIKey of [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is QGXYSNVHDLMWRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-4-13(11-16)5-3-7-15(10-13)9-12-14-6-8-17-12/h6,8,16H,2-5,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
[(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-propyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97127437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).