1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol

C19H29N5OS — CID 28766546

IUPAC1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol
SMILESCc1ccc(CN2CCC(n3cc(CN4CCC(O)CC4)nn3)CC2)s1
InChIInChI=1S/C19H29N5OS/c1-15-2-3-19(26-15)14-23-8-4-17(5-9-23)24-13-16(20-21-24)12-22-10-6-18(25)7-11-22/h2-3,13,17-18,25H,4-12,14H2,1H3
InChIKeyQQOHITJJIJYBHC-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.44
Rot. Bonds5

About 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol

1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol (PubChem CID 28766546) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol
PubChem CID28766546
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Name1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol
SMILESCc1ccc(CN2CCC(n3cc(CN4CCC(O)CC4)nn3)CC2)s1
InChIInChI=1S/C19H29N5OS/c1-15-2-3-19(26-15)14-23-8-4-17(5-9-23)24-13-16(20-21-24)12-22-10-6-18(25)7-11-22/h2-3,13,17-18,25H,4-12,14H2,1H3
InChIKeyQQOHITJJIJYBHC-UHFFFAOYSA-N
XLogP2.44
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol (CID 28766546) is 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol is Cc1ccc(CN2CCC(n3cc(CN4CCC(O)CC4)nn3)CC2)s1.
What is the InChIKey of 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is QQOHITJJIJYBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5OS/c1-15-2-3-19(26-15)14-23-8-4-17(5-9-23)24-13-16(20-21-24)12-22-10-6-18(25)7-11-22/h2-3,13,17-18,25H,4-12,14H2,1H3.
What are the key properties of 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol?
1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 375.54 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 28766546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).