(1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

C17H26N4OS — CID 29088747

IUPAC(1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCCc1ccc(CN2CCC(Cn3cc([C@@H](C)O)nn3)CC2)s1
InChIInChI=1S/C17H26N4OS/c1-3-15-4-5-16(23-15)11-20-8-6-14(7-9-20)10-21-12-17(13(2)22)18-19-21/h4-5,12-14,22H,3,6-11H2,1-2H3/t13-/m1/s1
InChIKeyHDUUGAMOQIYLLV-CYBMUJFWSA-N
MW334.49 g/mol
LogP2.87
Rot. Bonds6

About (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

(1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 29088747) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID29088747
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name(1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCCc1ccc(CN2CCC(Cn3cc([C@@H](C)O)nn3)CC2)s1
InChIInChI=1S/C17H26N4OS/c1-3-15-4-5-16(23-15)11-20-8-6-14(7-9-20)10-21-12-17(13(2)22)18-19-21/h4-5,12-14,22H,3,6-11H2,1-2H3/t13-/m1/s1
InChIKeyHDUUGAMOQIYLLV-CYBMUJFWSA-N
XLogP2.87
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 29088747) is (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is CCc1ccc(CN2CCC(Cn3cc([C@@H](C)O)nn3)CC2)s1.
What is the InChIKey of (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is HDUUGAMOQIYLLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-3-15-4-5-16(23-15)11-20-8-6-14(7-9-20)10-21-12-17(13(2)22)18-19-21/h4-5,12-14,22H,3,6-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
(1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 334.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 29088747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).