[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol

C13H20N2OS — CID 97146793

IUPAC[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(Cc2nccs2)C1
InChIInChI=1S/C13H20N2OS/c1-2-4-13(11-16)5-3-7-15(10-13)9-12-14-6-8-17-12/h2,6,8,16H,1,3-5,7,9-11H2/t13-/m0/s1
InChIKeyRSAPHCXBEZACBN-ZDUSSCGKSA-N
MW252.38 g/mol
LogP2.29
Rot. Bonds5

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

[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 97146793) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID97146793
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(Cc2nccs2)C1
InChIInChI=1S/C13H20N2OS/c1-2-4-13(11-16)5-3-7-15(10-13)9-12-14-6-8-17-12/h2,6,8,16H,1,3-5,7,9-11H2/t13-/m0/s1
InChIKeyRSAPHCXBEZACBN-ZDUSSCGKSA-N
XLogP2.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.29
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 [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol (CID 97146793) is [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol is C=CC[C@]1(CO)CCCN(Cc2nccs2)C1.
What is the InChIKey of [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is RSAPHCXBEZACBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-4-13(11-16)5-3-7-15(10-13)9-12-14-6-8-17-12/h2,6,8,16H,1,3-5,7,9-11H2/t13-/m0/s1.
What are the key properties of [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol?
[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 252.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97146793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).