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

C15H26N2O2S — CID 72857839

IUPAC(3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCCc1nc(CN2CC[C@@](O)(CCOC)[C@H](C)C2)cs1
InChIInChI=1S/C15H26N2O2S/c1-4-14-16-13(11-20-14)10-17-7-5-15(18,6-8-19-3)12(2)9-17/h11-12,18H,4-10H2,1-3H3/t12-,15-/m1/s1
InChIKeyYIGJWBSNRLUJNW-IUODEOHRSA-N
MW298.45 g/mol
LogP2.31
Rot. Bonds6

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

(3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (PubChem CID 72857839) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
PubChem CID72857839
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name(3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCCc1nc(CN2CC[C@@](O)(CCOC)[C@H](C)C2)cs1
InChIInChI=1S/C15H26N2O2S/c1-4-14-16-13(11-20-14)10-17-7-5-15(18,6-8-19-3)12(2)9-17/h11-12,18H,4-10H2,1-3H3/t12-,15-/m1/s1
InChIKeyYIGJWBSNRLUJNW-IUODEOHRSA-N
XLogP2.31
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (CID 72857839) is (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is CCc1nc(CN2CC[C@@](O)(CCOC)[C@H](C)C2)cs1.
What is the InChIKey of (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The InChIKey is YIGJWBSNRLUJNW-IUODEOHRSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-14-16-13(11-20-14)10-17-7-5-15(18,6-8-19-3)12(2)9-17/h11-12,18H,4-10H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
(3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol has a molecular weight of 298.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 72857839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).