1-(3-chloro-2-methylphenyl)-2-ethylpiperazine

C13H19ClN2 — CID 64936902

IUPAC1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
SMILESCCC1CNCCN1c1cccc(Cl)c1C
InChIInChI=1S/C13H19ClN2/c1-3-11-9-15-7-8-16(11)13-6-4-5-12(14)10(13)2/h4-6,11,15H,3,7-9H2,1-2H3
InChIKeyCMJFHHGBBACABN-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.84
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine

1-(3-chloro-2-methylphenyl)-2-ethylpiperazine (PubChem CID 64936902) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
PubChem CID64936902
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
SMILESCCC1CNCCN1c1cccc(Cl)c1C
InChIInChI=1S/C13H19ClN2/c1-3-11-9-15-7-8-16(11)13-6-4-5-12(14)10(13)2/h4-6,11,15H,3,7-9H2,1-2H3
InChIKeyCMJFHHGBBACABN-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine (CID 64936902) is 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine is CCC1CNCCN1c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine?
The InChIKey is CMJFHHGBBACABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-3-11-9-15-7-8-16(11)13-6-4-5-12(14)10(13)2/h4-6,11,15H,3,7-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-ethylpiperazine?
1-(3-chloro-2-methylphenyl)-2-ethylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.84, 2 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-ethylpiperazine is sourced from PubChem (CID 64936902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).