1-(2-chloro-3-ethylphenyl)-4-methylpiperazine

C13H19ClN2 — CID 155533824

IUPAC1-(2-chloro-3-ethylphenyl)-4-methylpiperazine
SMILESCCc1cccc(N2CCN(C)CC2)c1Cl
InChIInChI=1S/C13H19ClN2/c1-3-11-5-4-6-12(13(11)14)16-9-7-15(2)8-10-16/h4-6H,3,7-10H2,1-2H3
InChIKeyWDYXVLOKALEPOS-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.65
Rot. Bonds2

About 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine

1-(2-chloro-3-ethylphenyl)-4-methylpiperazine (PubChem CID 155533824) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-3-ethylphenyl)-4-methylpiperazine
PubChem CID155533824
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(2-chloro-3-ethylphenyl)-4-methylpiperazine
SMILESCCc1cccc(N2CCN(C)CC2)c1Cl
InChIInChI=1S/C13H19ClN2/c1-3-11-5-4-6-12(13(11)14)16-9-7-15(2)8-10-16/h4-6H,3,7-10H2,1-2H3
InChIKeyWDYXVLOKALEPOS-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine (CID 155533824) is 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine is CCc1cccc(N2CCN(C)CC2)c1Cl.
What is the InChIKey of 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine?
The InChIKey is WDYXVLOKALEPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-3-11-5-4-6-12(13(11)14)16-9-7-15(2)8-10-16/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine?
1-(2-chloro-3-ethylphenyl)-4-methylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-ethylphenyl)-4-methylpiperazine is sourced from PubChem (CID 155533824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).