4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol

C17H21N5O — CID 166287637

IUPAC4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol
SMILESOC1(Cn2cc(Cn3ccc4ccccc43)nn2)CCNCC1
InChIInChI=1S/C17H21N5O/c23-17(6-8-18-9-7-17)13-22-12-15(19-20-22)11-21-10-5-14-3-1-2-4-16(14)21/h1-5,10,12,18,23H,6-9,11,13H2
InChIKeyHGISTXHVRACERF-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.40
Rot. Bonds4

About 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol

4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol (PubChem CID 166287637) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol
PubChem CID166287637
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol
SMILESOC1(Cn2cc(Cn3ccc4ccccc43)nn2)CCNCC1
InChIInChI=1S/C17H21N5O/c23-17(6-8-18-9-7-17)13-22-12-15(19-20-22)11-21-10-5-14-3-1-2-4-16(14)21/h1-5,10,12,18,23H,6-9,11,13H2
InChIKeyHGISTXHVRACERF-UHFFFAOYSA-N
XLogP1.40
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol (CID 166287637) is 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol is OC1(Cn2cc(Cn3ccc4ccccc43)nn2)CCNCC1.
What is the InChIKey of 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol?
The InChIKey is HGISTXHVRACERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(6-8-18-9-7-17)13-22-12-15(19-20-22)11-21-10-5-14-3-1-2-4-16(14)21/h1-5,10,12,18,23H,6-9,11,13H2.
What are the key properties of 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol?
4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol has a molecular weight of 311.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 166287637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).