(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone

C13H18N2O3 — CID 3143538

IUPAC(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone
SMILESCOc1cccc(OC)c1C(=O)N1CCNCC1
InChIInChI=1S/C13H18N2O3/c1-17-10-4-3-5-11(18-2)12(10)13(16)15-8-6-14-7-9-15/h3-5,14H,6-9H2,1-2H3
InChIKeyVFTQGLHBUUJIRA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.75
Rot. Bonds3

About (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone

(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone (PubChem CID 3143538) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone
PubChem CID3143538
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone
SMILESCOc1cccc(OC)c1C(=O)N1CCNCC1
InChIInChI=1S/C13H18N2O3/c1-17-10-4-3-5-11(18-2)12(10)13(16)15-8-6-14-7-9-15/h3-5,14H,6-9H2,1-2H3
InChIKeyVFTQGLHBUUJIRA-UHFFFAOYSA-N
XLogP0.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone (CID 3143538) is (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone is COc1cccc(OC)c1C(=O)N1CCNCC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone?
The InChIKey is VFTQGLHBUUJIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-4-3-5-11(18-2)12(10)13(16)15-8-6-14-7-9-15/h3-5,14H,6-9H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone?
(2,6-dimethoxyphenyl)-piperazin-1-ylmethanone has a molecular weight of 250.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 3143538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).