5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine

C19H32N2 — CID 64861798

IUPAC5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
SMILESCCc1ccc(CN2CC(CC)(CC)NCC2(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-16-9-11-17(12-10-16)13-21-15-19(7-2,8-3)20-14-18(21,4)5/h9-12,20H,6-8,13-15H2,1-5H3
InChIKeySDLVUVSHRMEWIZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.99
Rot. Bonds5

About 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine

5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine (PubChem CID 64861798) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
PubChem CID64861798
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
SMILESCCc1ccc(CN2CC(CC)(CC)NCC2(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-16-9-11-17(12-10-16)13-21-15-19(7-2,8-3)20-14-18(21,4)5/h9-12,20H,6-8,13-15H2,1-5H3
InChIKeySDLVUVSHRMEWIZ-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64850036
5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
CID 64861033
1-[(4-chloro-3-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 107888674
1-[(3-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 64862571
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803
1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 102620737
5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 102879645
5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861609
5,5-diethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261770
5,5-diethyl-2,2-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982543
1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 103041811
2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 64839135

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine (CID 64861798) is 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine is CCc1ccc(CN2CC(CC)(CC)NCC2(C)C)cc1.
What is the InChIKey of 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is SDLVUVSHRMEWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-16-9-11-17(12-10-16)13-21-15-19(7-2,8-3)20-14-18(21,4)5/h9-12,20H,6-8,13-15H2,1-5H3.
What are the key properties of 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine?
5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 64861798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).