1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine

C14H22N2 — CID 64925997

IUPAC1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine
SMILESCc1ccc(N2CCNC(C)(C)C2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-5-6-13(12(2)9-11)16-8-7-15-14(3,4)10-16/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyQIQZBJABBDWUJL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.49
Rot. Bonds1

About 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine

1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine (PubChem CID 64925997) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine
PubChem CID64925997
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine
SMILESCc1ccc(N2CCNC(C)(C)C2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-5-6-13(12(2)9-11)16-8-7-15-14(3,4)10-16/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyQIQZBJABBDWUJL-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine (CID 64925997) is 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine is Cc1ccc(N2CCNC(C)(C)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine?
The InChIKey is QIQZBJABBDWUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-6-13(12(2)9-11)16-8-7-15-14(3,4)10-16/h5-6,9,15H,7-8,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine?
1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 64925997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).