(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

C21H26N2O2 — CID 9415517

IUPAC(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C21H26N2O2/c1-4-25-20-8-6-5-7-19(20)22-11-13-23(14-12-22)21(24)18-10-9-16(2)15-17(18)3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyGERMGJGKDMFIGX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.66
Rot. Bonds4

About (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 9415517) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
PubChem CID9415517
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C21H26N2O2/c1-4-25-20-8-6-5-7-19(20)22-11-13-23(14-12-22)21(24)18-10-9-16(2)15-17(18)3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyGERMGJGKDMFIGX-UHFFFAOYSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539479
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 31619065
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38414706
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
CID 131893621
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (CID 9415517) is (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is GERMGJGKDMFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-25-20-8-6-5-7-19(20)22-11-13-23(14-12-22)21(24)18-10-9-16(2)15-17(18)3/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9415517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).