1-(5-phenylmethoxy-3-pyridinyl)piperazine

C16H19N3O — CID 22478592

IUPAC1-(5-phenylmethoxy-3-pyridinyl)piperazine
SMILESc1ccc(COc2cncc(N3CCNCC3)c2)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-14(5-3-1)13-20-16-10-15(11-18-12-16)19-8-6-17-7-9-19/h1-5,10-12,17H,6-9,13H2
InChIKeyOEWLIWPPURIQJA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.07
Rot. Bonds4

About 1-(5-phenylmethoxy-3-pyridinyl)piperazine

1-(5-phenylmethoxy-3-pyridinyl)piperazine (PubChem CID 22478592) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(5-phenylmethoxy-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(5-phenylmethoxy-3-pyridinyl)piperazine
PubChem CID22478592
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(5-phenylmethoxy-3-pyridinyl)piperazine
SMILESc1ccc(COc2cncc(N3CCNCC3)c2)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-14(5-3-1)13-20-16-10-15(11-18-12-16)19-8-6-17-7-9-19/h1-5,10-12,17H,6-9,13H2
InChIKeyOEWLIWPPURIQJA-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

Analyze 1-(5-phenylmethoxy-3-pyridinyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylmethoxy-3-pyridinyl)piperazine?
The IUPAC name of 1-(5-phenylmethoxy-3-pyridinyl)piperazine (CID 22478592) is 1-(5-phenylmethoxy-3-pyridinyl)piperazine.
What is the SMILES notation for 1-(5-phenylmethoxy-3-pyridinyl)piperazine?
The canonical SMILES for 1-(5-phenylmethoxy-3-pyridinyl)piperazine is c1ccc(COc2cncc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-(5-phenylmethoxy-3-pyridinyl)piperazine?
The InChIKey is OEWLIWPPURIQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-14(5-3-1)13-20-16-10-15(11-18-12-16)19-8-6-17-7-9-19/h1-5,10-12,17H,6-9,13H2.
What are the key properties of 1-(5-phenylmethoxy-3-pyridinyl)piperazine?
1-(5-phenylmethoxy-3-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-(5-phenylmethoxy-3-pyridinyl)piperazine is sourced from PubChem (CID 22478592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).