(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone

C14H20N2O2 — CID 79659060

IUPAC(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CN(C)CCN2C)cc1
InChIInChI=1S/C14H20N2O2/c1-15-8-9-16(2)13(10-15)14(17)11-4-6-12(18-3)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKeyDIPIVZHGQKZVHC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.12
Rot. Bonds3

About (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone

(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 79659060) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone
PubChem CID79659060
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CN(C)CCN2C)cc1
InChIInChI=1S/C14H20N2O2/c1-15-8-9-16(2)13(10-15)14(17)11-4-6-12(18-3)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKeyDIPIVZHGQKZVHC-UHFFFAOYSA-N
XLogP1.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(1-propan-2-ylaziridin-2-yl)methanone
CID 11830946
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone
CID 107359394
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 79659327
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
3-(4-methoxybenzoyl)-1-methylpyrrolidine-2,5-dione
CID 13167574
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone (CID 79659060) is (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CN(C)CCN2C)cc1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is DIPIVZHGQKZVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-8-9-16(2)13(10-15)14(17)11-4-6-12(18-3)7-5-11/h4-7,13H,8-10H2,1-3H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone?
(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 79659060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).