(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone

C14H20N2O — CID 925313

IUPAC(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-11-4-5-13(12(2)10-11)14(17)16-8-6-15(3)7-9-16/h4-5,10H,6-9H2,1-3H3
InChIKeyFZERRSDRXUDPCZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.69
Rot. Bonds1

About (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone

(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 925313) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID925313
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-11-4-5-13(12(2)10-11)14(17)16-8-6-15(3)7-9-16/h4-5,10H,6-9H2,1-3H3
InChIKeyFZERRSDRXUDPCZ-UHFFFAOYSA-N
XLogP1.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
[4-(2-chloroethyl)piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 63395254
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799984
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
ethyl 4-(2,4-dimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808960
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110815046
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
(2-bromo-5-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80953724
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone (CID 925313) is (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(C)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FZERRSDRXUDPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-4-5-13(12(2)10-11)14(17)16-8-6-15(3)7-9-16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone?
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 925313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).