1-(2,5-dimethylphenyl)-2,5-diethylpiperazine

C16H26N2 — CID 64931944

IUPAC1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
SMILESCCC1CN(c2cc(C)ccc2C)C(CC)CN1
InChIInChI=1S/C16H26N2/c1-5-14-11-18(15(6-2)10-17-14)16-9-12(3)7-8-13(16)4/h7-9,14-15,17H,5-6,10-11H2,1-4H3
InChIKeyYXHKAOOPQQQAQX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine

1-(2,5-dimethylphenyl)-2,5-diethylpiperazine (PubChem CID 64931944) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
PubChem CID64931944
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
SMILESCCC1CN(c2cc(C)ccc2C)C(CC)CN1
InChIInChI=1S/C16H26N2/c1-5-14-11-18(15(6-2)10-17-14)16-9-12(3)7-8-13(16)4/h7-9,14-15,17H,5-6,10-11H2,1-4H3
InChIKeyYXHKAOOPQQQAQX-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine
CID 64979070
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
CID 82758286
2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
2,5-diethyl-1-(5-methyl-2-pyridinyl)piperazine
CID 64979037
5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline
CID 115379341
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64954694
5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
CID 107639962
2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
CID 107640027
2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586938
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine (CID 64931944) is 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine is CCC1CN(c2cc(C)ccc2C)C(CC)CN1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine?
The InChIKey is YXHKAOOPQQQAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-14-11-18(15(6-2)10-17-14)16-9-12(3)7-8-13(16)4/h7-9,14-15,17H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine?
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,5-diethylpiperazine is sourced from PubChem (CID 64931944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).