1-[3-(phenoxymethyl)-2-pyridinyl]piperazine

C16H19N3O — CID 72550146

IUPAC1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
SMILESc1ccc(OCc2cccnc2N2CCNCC2)cc1
InChIInChI=1S/C16H19N3O/c1-2-6-15(7-3-1)20-13-14-5-4-8-18-16(14)19-11-9-17-10-12-19/h1-8,17H,9-13H2
InChIKeyXBYDVIHBLSKRGQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.07
Rot. Bonds4

About 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine

1-[3-(phenoxymethyl)-2-pyridinyl]piperazine (PubChem CID 72550146) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
PubChem CID72550146
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
SMILESc1ccc(OCc2cccnc2N2CCNCC2)cc1
InChIInChI=1S/C16H19N3O/c1-2-6-15(7-3-1)20-13-14-5-4-8-18-16(14)19-11-9-17-10-12-19/h1-8,17H,9-13H2
InChIKeyXBYDVIHBLSKRGQ-UHFFFAOYSA-N
XLogP2.07
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine (CID 72550146) is 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine is c1ccc(OCc2cccnc2N2CCNCC2)cc1.
What is the InChIKey of 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine?
The InChIKey is XBYDVIHBLSKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-6-15(7-3-1)20-13-14-5-4-8-18-16(14)19-11-9-17-10-12-19/h1-8,17H,9-13H2.
What are the key properties of 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine?
1-[3-(phenoxymethyl)-2-pyridinyl]piperazine has a molecular weight of 269.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(phenoxymethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 72550146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).