2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline

C17H21N3O2 — CID 118918132

IUPAC2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline
SMILESNc1ccccc1COc1ccc(OC2CCNCC2)cn1
InChIInChI=1S/C17H21N3O2/c18-16-4-2-1-3-13(16)12-21-17-6-5-15(11-20-17)22-14-7-9-19-10-8-14/h1-6,11,14,19H,7-10,12,18H2
InChIKeyAZUNNODZVWUOGC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.37
Rot. Bonds5

About 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline

2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline (PubChem CID 118918132) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline.

Molecular Properties

Compound Name2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline
PubChem CID118918132
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline
SMILESNc1ccccc1COc1ccc(OC2CCNCC2)cn1
InChIInChI=1S/C17H21N3O2/c18-16-4-2-1-3-13(16)12-21-17-6-5-15(11-20-17)22-14-7-9-19-10-8-14/h1-6,11,14,19H,7-10,12,18H2
InChIKeyAZUNNODZVWUOGC-UHFFFAOYSA-N
XLogP2.37
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline?
The IUPAC name of 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline (CID 118918132) is 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline.
What is the SMILES notation for 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline?
The canonical SMILES for 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline is Nc1ccccc1COc1ccc(OC2CCNCC2)cn1.
What is the InChIKey of 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline?
The InChIKey is AZUNNODZVWUOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-16-4-2-1-3-13(16)12-21-17-6-5-15(11-20-17)22-14-7-9-19-10-8-14/h1-6,11,14,19H,7-10,12,18H2.
What are the key properties of 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline?
2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline has a molecular weight of 299.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperidin-4-yloxy-2-pyridinyl)oxymethyl]aniline is sourced from PubChem (CID 118918132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).