5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine

C19H30N2 — CID 64876930

IUPAC5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCc1ccc(CN2CC(C)(C3CC3)NCC2(C)C)cc1C
InChIInChI=1S/C19H30N2/c1-14-6-7-16(10-15(14)2)11-21-13-19(5,17-8-9-17)20-12-18(21,3)4/h6-7,10,17,20H,8-9,11-13H2,1-5H3
InChIKeyNOYJCWDXAMWEGA-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.66
Rot. Bonds3

About 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine

5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine (PubChem CID 64876930) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine
PubChem CID64876930
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCc1ccc(CN2CC(C)(C3CC3)NCC2(C)C)cc1C
InChIInChI=1S/C19H30N2/c1-14-6-7-16(10-15(14)2)11-21-13-19(5,17-8-9-17)20-12-18(21,3)4/h6-7,10,17,20H,8-9,11-13H2,1-5H3
InChIKeyNOYJCWDXAMWEGA-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878272
5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64878267
5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 114349605
3-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64869909
1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878274
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839645
1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 64875981
1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64840494
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64878482
3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine
CID 64923831
5-cyclopropyl-2,2,5-trimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 103141533
5-cyclopropyl-1-(2-methoxypropyl)-2,2,5-trimethylpiperazine
CID 113383050

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine (CID 64876930) is 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine is Cc1ccc(CN2CC(C)(C3CC3)NCC2(C)C)cc1C.
What is the InChIKey of 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine?
The InChIKey is NOYJCWDXAMWEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-6-7-16(10-15(14)2)11-21-13-19(5,17-8-9-17)20-12-18(21,3)4/h6-7,10,17,20H,8-9,11-13H2,1-5H3.
What are the key properties of 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine?
5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64876930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).