1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine

C16H25ClN2 — CID 66255306

IUPAC1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1c(C)cccc1Cl
InChIInChI=1S/C16H25ClN2/c1-5-13-9-18-15(11(2)3)10-19(13)16-12(4)7-6-8-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyPGTXJTRWHNPGIY-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.86
Rot. Bonds3

About 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine

1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine (PubChem CID 66255306) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
PubChem CID66255306
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1c(C)cccc1Cl
InChIInChI=1S/C16H25ClN2/c1-5-13-9-18-15(11(2)3)10-19(13)16-12(4)7-6-8-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyPGTXJTRWHNPGIY-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine (CID 66255306) is 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1c1c(C)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The InChIKey is PGTXJTRWHNPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-5-13-9-18-15(11(2)3)10-19(13)16-12(4)7-6-8-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3.
What are the key properties of 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine has a molecular weight of 280.84 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 66255306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).