1-butyl-4-(2-chloro-3-ethylphenyl)piperazine

C16H25ClN2 — CID 155535272

IUPAC1-butyl-4-(2-chloro-3-ethylphenyl)piperazine
SMILESCCCCN1CCN(c2cccc(CC)c2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-3-5-9-18-10-12-19(13-11-18)15-8-6-7-14(4-2)16(15)17/h6-8H,3-5,9-13H2,1-2H3
InChIKeyYTGXGXKZORFSRT-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.82
Rot. Bonds5

About 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine

1-butyl-4-(2-chloro-3-ethylphenyl)piperazine (PubChem CID 155535272) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(2-chloro-3-ethylphenyl)piperazine
PubChem CID155535272
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-butyl-4-(2-chloro-3-ethylphenyl)piperazine
SMILESCCCCN1CCN(c2cccc(CC)c2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-3-5-9-18-10-12-19(13-11-18)15-8-6-7-14(4-2)16(15)17/h6-8H,3-5,9-13H2,1-2H3
InChIKeyYTGXGXKZORFSRT-UHFFFAOYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3-chlorophenyl)piperazine
CID 413525
1-(2-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 409926
1-(3-Chlorophenyl)-4-octylpiperazine
CID 14960355
1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845469
1-(2-Chlorophenyl)-4-(3-phenylpropyl)piperazine
CID 2845629
1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322
1-(2-Chlorophenyl)-4-hexylpiperazine
CID 3696771
1-(2-Chlorobenzyl)-4-phenylpiperazine
CID 765042
1-(4-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845455
1-Benzyl-4-(4-chlorophenyl)piperazine
CID 233199
1-(4-Chlorophenyl)-4-(2-methylbenzyl)piperazine
CID 750762
1-(2-Chlorobenzyl)-4-(2-chlorophenyl)piperazine
CID 764219

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine?
The IUPAC name of 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine (CID 155535272) is 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine.
What is the SMILES notation for 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine?
The canonical SMILES for 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine is CCCCN1CCN(c2cccc(CC)c2Cl)CC1.
What is the InChIKey of 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine?
The InChIKey is YTGXGXKZORFSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-5-9-18-10-12-19(13-11-18)15-8-6-7-14(4-2)16(15)17/h6-8H,3-5,9-13H2,1-2H3.
What are the key properties of 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine?
1-butyl-4-(2-chloro-3-ethylphenyl)piperazine has a molecular weight of 280.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2-chloro-3-ethylphenyl)piperazine is sourced from PubChem (CID 155535272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).