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

C16H28N2O2S — CID 72859661

IUPAC(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCOCC[C@]1(O)CCN(Cc2nc(C(C)C)cs2)C[C@H]1C
InChIInChI=1S/C16H28N2O2S/c1-12(2)14-11-21-15(17-14)10-18-7-5-16(19,6-8-20-4)13(3)9-18/h11-13,19H,5-10H2,1-4H3/t13-,16-/m1/s1
InChIKeyCSKNHTYASWYZNW-CZUORRHYSA-N
MW312.48 g/mol
LogP2.88
Rot. Bonds6

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

(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (PubChem CID 72859661) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
PubChem CID72859661
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCOCC[C@]1(O)CCN(Cc2nc(C(C)C)cs2)C[C@H]1C
InChIInChI=1S/C16H28N2O2S/c1-12(2)14-11-21-15(17-14)10-18-7-5-16(19,6-8-20-4)13(3)9-18/h11-13,19H,5-10H2,1-4H3/t13-,16-/m1/s1
InChIKeyCSKNHTYASWYZNW-CZUORRHYSA-N
XLogP2.88
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (CID 72859661) is (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is COCC[C@]1(O)CCN(Cc2nc(C(C)C)cs2)C[C@H]1C.
What is the InChIKey of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is CSKNHTYASWYZNW-CZUORRHYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-12(2)14-11-21-15(17-14)10-18-7-5-16(19,6-8-20-4)13(3)9-18/h11-13,19H,5-10H2,1-4H3/t13-,16-/m1/s1.
What are the key properties of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 312.48 g/mol, XLogP of 2.88, 6 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-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 72859661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).