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

C14H24N2O2S — CID 72872113

IUPAC[3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2csc(C)n2)C1
InChIInChI=1S/C14H24N2O2S/c1-12-15-13(9-19-12)8-16-6-3-4-14(10-16,11-17)5-7-18-2/h9,17H,3-8,10-11H2,1-2H3
InChIKeyPOSWKVXFZUWNKI-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.06
Rot. Bonds6

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

[3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 72872113) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID72872113
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name[3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2csc(C)n2)C1
InChIInChI=1S/C14H24N2O2S/c1-12-15-13(9-19-12)8-16-6-3-4-14(10-16,11-17)5-7-18-2/h9,17H,3-8,10-11H2,1-2H3
InChIKeyPOSWKVXFZUWNKI-UHFFFAOYSA-N
XLogP2.06
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 72872113) is [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is COCCC1(CO)CCCN(Cc2csc(C)n2)C1.
What is the InChIKey of [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is POSWKVXFZUWNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12-15-13(9-19-12)8-16-6-3-4-14(10-16,11-17)5-7-18-2/h9,17H,3-8,10-11H2,1-2H3.
What are the key properties of [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 284.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 72872113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).