(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol

C15H24N2O2S — CID 72859824

IUPAC(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
SMILESC[C@@H]1CN(Cc2cscn2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-12-8-17(9-14-10-20-11-16-14)5-4-15(12,18)13-2-6-19-7-3-13/h10-13,18H,2-9H2,1H3/t12-,15+/m1/s1
InChIKeyNJOFHCGCBQIPCH-DOMZBBRYSA-N
MW296.44 g/mol
LogP2.14
Rot. Bonds3

About (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol

(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol (PubChem CID 72859824) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
PubChem CID72859824
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
SMILESC[C@@H]1CN(Cc2cscn2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-12-8-17(9-14-10-20-11-16-14)5-4-15(12,18)13-2-6-19-7-3-13/h10-13,18H,2-9H2,1H3/t12-,15+/m1/s1
InChIKeyNJOFHCGCBQIPCH-DOMZBBRYSA-N
XLogP2.14
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol (CID 72859824) is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol is C[C@@H]1CN(Cc2cscn2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol?
The InChIKey is NJOFHCGCBQIPCH-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-8-17(9-14-10-20-11-16-14)5-4-15(12,18)13-2-6-19-7-3-13/h10-13,18H,2-9H2,1H3/t12-,15+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol?
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol has a molecular weight of 296.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 72859824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).