piperidin-3-yl(1,2-thiazol-3-yl)methanol

C9H14N2OS — CID 131190544

IUPACpiperidin-3-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CCCNC1
InChIInChI=1S/C9H14N2OS/c12-9(8-3-5-13-11-8)7-2-1-4-10-6-7/h3,5,7,9-10,12H,1-2,4,6H2
InChIKeyVJJOHSISNSGCGG-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.18
Rot. Bonds2

About piperidin-3-yl(1,2-thiazol-3-yl)methanol

piperidin-3-yl(1,2-thiazol-3-yl)methanol (PubChem CID 131190544) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is piperidin-3-yl(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Namepiperidin-3-yl(1,2-thiazol-3-yl)methanol
PubChem CID131190544
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Namepiperidin-3-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CCCNC1
InChIInChI=1S/C9H14N2OS/c12-9(8-3-5-13-11-8)7-2-1-4-10-6-7/h3,5,7,9-10,12H,1-2,4,6H2
InChIKeyVJJOHSISNSGCGG-UHFFFAOYSA-N
XLogP1.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
Piperidin-4-yl(1,2-thiazol-3-yl)methanol
CID 126985700
1-Piperidin-4-yl-1-(1,2-thiazol-3-yl)ethanol
CID 127016493
1-Methyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 130704989
Pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol
CID 130725448
2-Methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 130986972
1-Piperidin-3-yl-1-(1,2-thiazol-3-yl)ethanol
CID 131008348
2-Amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 164658481
4-[Amino(1,2-thiazol-3-yl)methyl]piperidin-4-ol
CID 165542101

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl(1,2-thiazol-3-yl)methanol?
The IUPAC name of piperidin-3-yl(1,2-thiazol-3-yl)methanol (CID 131190544) is piperidin-3-yl(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for piperidin-3-yl(1,2-thiazol-3-yl)methanol?
The canonical SMILES for piperidin-3-yl(1,2-thiazol-3-yl)methanol is OC(c1ccsn1)C1CCCNC1.
What is the InChIKey of piperidin-3-yl(1,2-thiazol-3-yl)methanol?
The InChIKey is VJJOHSISNSGCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-9(8-3-5-13-11-8)7-2-1-4-10-6-7/h3,5,7,9-10,12H,1-2,4,6H2.
What are the key properties of piperidin-3-yl(1,2-thiazol-3-yl)methanol?
piperidin-3-yl(1,2-thiazol-3-yl)methanol has a molecular weight of 198.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 131190544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).