(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol

C14H24N2O2S — CID 72902967

IUPAC(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCOCC[C@]1(O)CCN(Cc2nc(C)cs2)C[C@H]1C
InChIInChI=1S/C14H24N2O2S/c1-11-8-16(9-13-15-12(2)10-19-13)6-4-14(11,17)5-7-18-3/h10-11,17H,4-9H2,1-3H3/t11-,14-/m1/s1
InChIKeySTECVJYWLBIQLS-BXUZGUMPSA-N
MW284.42 g/mol
LogP2.06
Rot. Bonds5

About (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol

(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (PubChem CID 72902967) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
PubChem CID72902967
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCOCC[C@]1(O)CCN(Cc2nc(C)cs2)C[C@H]1C
InChIInChI=1S/C14H24N2O2S/c1-11-8-16(9-13-15-12(2)10-19-13)6-4-14(11,17)5-7-18-3/h10-11,17H,4-9H2,1-3H3/t11-,14-/m1/s1
InChIKeySTECVJYWLBIQLS-BXUZGUMPSA-N
XLogP2.06
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (CID 72902967) is (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is COCC[C@]1(O)CCN(Cc2nc(C)cs2)C[C@H]1C.
What is the InChIKey of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is STECVJYWLBIQLS-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11-8-16(9-13-15-12(2)10-19-13)6-4-14(11,17)5-7-18-3/h10-11,17H,4-9H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 284.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 72902967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).