[1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol

C17H26N4O2 — CID 29258571

IUPAC[1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCCCc1ccc(CN2CCC(Cn3cc(CO)nn3)CC2)o1
InChIInChI=1S/C17H26N4O2/c1-2-3-16-4-5-17(23-16)12-20-8-6-14(7-9-20)10-21-11-15(13-22)18-19-21/h4-5,11,14,22H,2-3,6-10,12-13H2,1H3
InChIKeyDDNKPQCXZDEUBH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.23
Rot. Bonds7

About [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 29258571) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID29258571
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCCCc1ccc(CN2CCC(Cn3cc(CO)nn3)CC2)o1
InChIInChI=1S/C17H26N4O2/c1-2-3-16-4-5-17(23-16)12-20-8-6-14(7-9-20)10-21-11-15(13-22)18-19-21/h4-5,11,14,22H,2-3,6-10,12-13H2,1H3
InChIKeyDDNKPQCXZDEUBH-UHFFFAOYSA-N
XLogP2.23
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 29258571) is [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol is CCCc1ccc(CN2CCC(Cn3cc(CO)nn3)CC2)o1.
What is the InChIKey of [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is DDNKPQCXZDEUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-3-16-4-5-17(23-16)12-20-8-6-14(7-9-20)10-21-11-15(13-22)18-19-21/h4-5,11,14,22H,2-3,6-10,12-13H2,1H3.
What are the key properties of [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 318.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 29258571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).