(2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone

C14H21N3O — CID 63909603

IUPAC(2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C(C)CNCC2C)c(C)n1
InChIInChI=1S/C14H21N3O/c1-9-5-6-13(12(4)16-9)14(18)17-10(2)7-15-8-11(17)3/h5-6,10-11,15H,7-8H2,1-4H3
InChIKeyKTQZEJWTKQSZTM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.52
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone

(2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone (PubChem CID 63909603) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
PubChem CID63909603
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C(C)CNCC2C)c(C)n1
InChIInChI=1S/C14H21N3O/c1-9-5-6-13(12(4)16-9)14(18)17-10(2)7-15-8-11(17)3/h5-6,10-11,15H,7-8H2,1-4H3
InChIKeyKTQZEJWTKQSZTM-UHFFFAOYSA-N
XLogP1.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone (CID 63909603) is (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2C(C)CNCC2C)c(C)n1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is KTQZEJWTKQSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-5-6-13(12(4)16-9)14(18)17-10(2)7-15-8-11(17)3/h5-6,10-11,15H,7-8H2,1-4H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 63909603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).