2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine

C16H31N5O3 — CID 163443453

IUPAC2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCn1cc(CN2CCCCC2)nn1
InChIInChI=1S/C16H31N5O3/c17-4-8-22-10-12-24-13-11-23-9-7-21-15-16(18-19-21)14-20-5-2-1-3-6-20/h15H,1-14,17H2
InChIKeyBANBXCFZGNVWQV-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.27
Rot. Bonds13

About 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 163443453) has the molecular formula C16H31N5O3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID163443453
Molecular FormulaC16H31N5O3
Molecular Weight341.46 g/mol
Exact Mass341.24
IUPAC Name2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCn1cc(CN2CCCCC2)nn1
InChIInChI=1S/C16H31N5O3/c17-4-8-22-10-12-24-13-11-23-9-7-21-15-16(18-19-21)14-20-5-2-1-3-6-20/h15H,1-14,17H2
InChIKeyBANBXCFZGNVWQV-UHFFFAOYSA-N
XLogP0.27
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine (CID 163443453) is 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine is NCCOCCOCCOCCn1cc(CN2CCCCC2)nn1.
What is the InChIKey of 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is BANBXCFZGNVWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O3/c17-4-8-22-10-12-24-13-11-23-9-7-21-15-16(18-19-21)14-20-5-2-1-3-6-20/h15H,1-14,17H2.
What are the key properties of 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 341.46 g/mol, XLogP of 0.27, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 163443453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).