[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

C16H28N2O2S — CID 97131667

IUPAC[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCCc1nc(C)sc1CN1CCC[C@@](CO)(CCOC)C1
InChIInChI=1S/C16H28N2O2S/c1-4-14-15(21-13(2)17-14)10-18-8-5-6-16(11-18,12-19)7-9-20-3/h19H,4-12H2,1-3H3/t16-/m1/s1
InChIKeyGMLSTWKUNVJITA-MRXNPFEDSA-N
MW312.48 g/mol
LogP2.62
Rot. Bonds7

About [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 97131667) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID97131667
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCCc1nc(C)sc1CN1CCC[C@@](CO)(CCOC)C1
InChIInChI=1S/C16H28N2O2S/c1-4-14-15(21-13(2)17-14)10-18-8-5-6-16(11-18,12-19)7-9-20-3/h19H,4-12H2,1-3H3/t16-/m1/s1
InChIKeyGMLSTWKUNVJITA-MRXNPFEDSA-N
XLogP2.62
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 97131667) is [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is CCc1nc(C)sc1CN1CCC[C@@](CO)(CCOC)C1.
What is the InChIKey of [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is GMLSTWKUNVJITA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-4-14-15(21-13(2)17-14)10-18-8-5-6-16(11-18,12-19)7-9-20-3/h19H,4-12H2,1-3H3/t16-/m1/s1.
What are the key properties of [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 312.48 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97131667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).