2,2-dimethoxy-1-phenylpiperazine

C12H18N2O2 — CID 67634848

IUPAC2,2-dimethoxy-1-phenylpiperazine
SMILESCOC1(OC)CNCCN1c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-15-12(16-2)10-13-8-9-14(12)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKeyLJTNYAXHDMFXME-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds3

About 2,2-dimethoxy-1-phenylpiperazine

2,2-dimethoxy-1-phenylpiperazine (PubChem CID 67634848) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,2-dimethoxy-1-phenylpiperazine.

Molecular Properties

Compound Name2,2-dimethoxy-1-phenylpiperazine
PubChem CID67634848
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2,2-dimethoxy-1-phenylpiperazine
SMILESCOC1(OC)CNCCN1c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-15-12(16-2)10-13-8-9-14(12)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKeyLJTNYAXHDMFXME-UHFFFAOYSA-N
XLogP1.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-phenylpiperazine?
The IUPAC name of 2,2-dimethoxy-1-phenylpiperazine (CID 67634848) is 2,2-dimethoxy-1-phenylpiperazine.
What is the SMILES notation for 2,2-dimethoxy-1-phenylpiperazine?
The canonical SMILES for 2,2-dimethoxy-1-phenylpiperazine is COC1(OC)CNCCN1c1ccccc1.
What is the InChIKey of 2,2-dimethoxy-1-phenylpiperazine?
The InChIKey is LJTNYAXHDMFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-12(16-2)10-13-8-9-14(12)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3.
What are the key properties of 2,2-dimethoxy-1-phenylpiperazine?
2,2-dimethoxy-1-phenylpiperazine has a molecular weight of 222.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-phenylpiperazine is sourced from PubChem (CID 67634848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).