[3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol

C15H24N2OS — CID 72854338

IUPAC[3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(Cc2cscn2)C1
InChIInChI=1S/C15H24N2OS/c1-13(2)4-6-15(11-18)5-3-7-17(10-15)8-14-9-19-12-16-14/h4,9,12,18H,3,5-8,10-11H2,1-2H3
InChIKeyCYSHCMMPULRTBM-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.07
Rot. Bonds5

About [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol

[3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol (PubChem CID 72854338) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
PubChem CID72854338
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name[3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(Cc2cscn2)C1
InChIInChI=1S/C15H24N2OS/c1-13(2)4-6-15(11-18)5-3-7-17(10-15)8-14-9-19-12-16-14/h4,9,12,18H,3,5-8,10-11H2,1-2H3
InChIKeyCYSHCMMPULRTBM-UHFFFAOYSA-N
XLogP3.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol (CID 72854338) is [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol is CC(C)=CCC1(CO)CCCN(Cc2cscn2)C1.
What is the InChIKey of [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is CYSHCMMPULRTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-13(2)4-6-15(11-18)5-3-7-17(10-15)8-14-9-19-12-16-14/h4,9,12,18H,3,5-8,10-11H2,1-2H3.
What are the key properties of [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol?
[3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 280.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbut-2-enyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72854338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).