5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine

C16H25ClN2 — CID 64937522

IUPAC5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
SMILESCCC(C)C1CN(c2ccccc2Cl)C(CC)CN1
InChIInChI=1S/C16H25ClN2/c1-4-12(3)15-11-19(13(5-2)10-18-15)16-9-7-6-8-14(16)17/h6-9,12-13,15,18H,4-5,10-11H2,1-3H3
InChIKeyZCUDZHXHIKSOAG-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.94
Rot. Bonds4

About 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine

5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine (PubChem CID 64937522) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
PubChem CID64937522
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
SMILESCCC(C)C1CN(c2ccccc2Cl)C(CC)CN1
InChIInChI=1S/C16H25ClN2/c1-4-12(3)15-11-19(13(5-2)10-18-15)16-9-7-6-8-14(16)17/h6-9,12-13,15,18H,4-5,10-11H2,1-3H3
InChIKeyZCUDZHXHIKSOAG-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
1-(2,3-Dichlorophenyl)piperazine
CID 851833
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(4-Chlorophenyl)piperazine
CID 97478
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
3-Chloro-4-(piperidin-1-yl)aniline
CID 736350

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine (CID 64937522) is 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine is CCC(C)C1CN(c2ccccc2Cl)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine?
The InChIKey is ZCUDZHXHIKSOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-12(3)15-11-19(13(5-2)10-18-15)16-9-7-6-8-14(16)17/h6-9,12-13,15,18H,4-5,10-11H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine?
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine has a molecular weight of 280.84 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine is sourced from PubChem (CID 64937522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).