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

C14H20N2O — CID 65462539

IUPAC(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCNCC2(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-10-14(16,2)3/h4-7,15H,8-10H2,1-3H3
InChIKeyLGMYTLGEDDUKQX-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.82
Rot. Bonds1

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

(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone (PubChem CID 65462539) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
PubChem CID65462539
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCNCC2(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-10-14(16,2)3/h4-7,15H,8-10H2,1-3H3
InChIKeyLGMYTLGEDDUKQX-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 65461530
(4-chlorophenyl)-(2,2-dimethyl-1,4-diazepan-1-yl)methanone
CID 82247007
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65463334
2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462739
1-(2,2-dimethylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 65460937
(2,2-dimethyl-1,4-diazepan-1-yl)-(4-methoxyphenyl)methanone
CID 82246402
3-(2,2-dimethylpiperazine-1-carbonyl)benzamide
CID 65462532
(2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 65462722
(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 65460537
1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone
CID 121451704
(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 65462948
(2,2-dimethylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 115737561

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone (CID 65462539) is (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCNCC2(C)C)cc1.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is LGMYTLGEDDUKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-10-14(16,2)3/h4-7,15H,8-10H2,1-3H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone?
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 65462539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).