[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol

C13H23N3OS — CID 97138293

IUPAC[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@@]1(CO)CCCN(Cc2snnc2C)C1
InChIInChI=1S/C13H23N3OS/c1-3-5-13(10-17)6-4-7-16(9-13)8-12-11(2)14-15-18-12/h17H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyZOZNQRWFGNCHIG-CYBMUJFWSA-N
MW269.41 g/mol
LogP2.22
Rot. Bonds5

About [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol

[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 97138293) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID97138293
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@@]1(CO)CCCN(Cc2snnc2C)C1
InChIInChI=1S/C13H23N3OS/c1-3-5-13(10-17)6-4-7-16(9-13)8-12-11(2)14-15-18-12/h17H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyZOZNQRWFGNCHIG-CYBMUJFWSA-N
XLogP2.22
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol (CID 97138293) is [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol is CCC[C@@]1(CO)CCCN(Cc2snnc2C)C1.
What is the InChIKey of [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is ZOZNQRWFGNCHIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-5-13(10-17)6-4-7-16(9-13)8-12-11(2)14-15-18-12/h17H,3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol?
[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 269.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 97138293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).