1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol

C13H22N2OS — CID 115091086

IUPAC1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(CC2CCCN(C)C2)s1
InChIInChI=1S/C13H22N2OS/c1-10(16)6-12-8-14-13(17-12)7-11-4-3-5-15(2)9-11/h8,10-11,16H,3-7,9H2,1-2H3
InChIKeyJZIIEUXZMVSCHA-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol

1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 115091086) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID115091086
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(CC2CCCN(C)C2)s1
InChIInChI=1S/C13H22N2OS/c1-10(16)6-12-8-14-13(17-12)7-11-4-3-5-15(2)9-11/h8,10-11,16H,3-7,9H2,1-2H3
InChIKeyJZIIEUXZMVSCHA-UHFFFAOYSA-N
XLogP1.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol (CID 115091086) is 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol is CC(O)Cc1cnc(CC2CCCN(C)C2)s1.
What is the InChIKey of 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is JZIIEUXZMVSCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(16)6-12-8-14-13(17-12)7-11-4-3-5-15(2)9-11/h8,10-11,16H,3-7,9H2,1-2H3.
What are the key properties of 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 254.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 115091086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).