(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone

C14H20N2O2 — CID 63911962

IUPAC(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C14H20N2O2/c1-10-8-15-9-11(2)16(10)14(17)12-5-4-6-13(7-12)18-3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyMLPBDZAYAZHURZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds2

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

(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 63911962) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID63911962
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C14H20N2O2/c1-10-8-15-9-11(2)16(10)14(17)12-5-4-6-13(7-12)18-3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyMLPBDZAYAZHURZ-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 63909800
(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909204
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 62920848
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxyphenyl)methanone
CID 66210256
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 95319434

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone (CID 63911962) is (2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2C(C)CNCC2C)c1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is MLPBDZAYAZHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-15-9-11(2)16(10)14(17)12-5-4-6-13(7-12)18-3/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.52, 2 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)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 63911962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).