1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine

C17H27ClN2 — CID 64936226

IUPAC1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1cccc(Cl)c1C
InChIInChI=1S/C17H27ClN2/c1-5-15-10-19-14(9-12(2)3)11-20(15)17-8-6-7-16(18)13(17)4/h6-8,12,14-15,19H,5,9-11H2,1-4H3
InChIKeyVPQKBDZEJFGDHQ-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine

1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine (PubChem CID 64936226) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
PubChem CID64936226
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1cccc(Cl)c1C
InChIInChI=1S/C17H27ClN2/c1-5-15-10-19-14(9-12(2)3)11-20(15)17-8-6-7-16(18)13(17)4/h6-8,12,14-15,19H,5,9-11H2,1-4H3
InChIKeyVPQKBDZEJFGDHQ-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153
1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603860
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine
CID 64941203
1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
CID 64936902
1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64933334
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
CID 64934538
1-(1,3-dimethylpyrazol-4-yl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 102807507
1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64935877
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
CID 64935839
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine (CID 64936226) is 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The InChIKey is VPQKBDZEJFGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-5-15-10-19-14(9-12(2)3)11-20(15)17-8-6-7-16(18)13(17)4/h6-8,12,14-15,19H,5,9-11H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine?
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine has a molecular weight of 294.87 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64936226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).