1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine

C17H25ClN2 — CID 64842191

IUPAC1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2ccc(Cl)cc2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H25ClN2/c1-3-16-11-20(10-13-4-8-15(18)9-5-13)17(2,12-19-16)14-6-7-14/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyOIMHATRBJRGDLJ-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.69
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine

1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine (PubChem CID 64842191) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine
PubChem CID64842191
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2ccc(Cl)cc2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H25ClN2/c1-3-16-11-20(10-13-4-8-15(18)9-5-13)17(2,12-19-16)14-6-7-14/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyOIMHATRBJRGDLJ-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64839799
2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64844959
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64839080
1-[(3,4-difluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 82925269
1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64847233
1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878272
1-[(4-chloro-3-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 107888547
2-cyclopropyl-5-ethyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592075
2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491560
2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64842290
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
CID 64842179

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine (CID 64842191) is 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine is CCC1CN(Cc2ccc(Cl)cc2)C(C)(C2CC2)CN1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine?
The InChIKey is OIMHATRBJRGDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-3-16-11-20(10-13-4-8-15(18)9-5-13)17(2,12-19-16)14-6-7-14/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine?
1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine has a molecular weight of 292.85 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 64842191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).