5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine

C16H25ClN2 — CID 66254143

IUPAC5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2c(C)cccc2Cl)C(C)CN1
InChIInChI=1S/C16H25ClN2/c1-5-11(2)15-10-19(13(4)9-18-15)16-12(3)7-6-8-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyGLFZSVANLBCVFH-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.86
Rot. Bonds3

About 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine

5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine (PubChem CID 66254143) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
PubChem CID66254143
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2c(C)cccc2Cl)C(C)CN1
InChIInChI=1S/C16H25ClN2/c1-5-11(2)15-10-19(13(4)9-18-15)16-12(3)7-6-8-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyGLFZSVANLBCVFH-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

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Related Compounds

5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 66255306
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488
5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64951883
5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine
CID 64954497
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
CID 64939257
5-butan-2-yl-1-[2-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938638

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine (CID 66254143) is 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine is CCC(C)C1CN(c2c(C)cccc2Cl)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine?
The InChIKey is GLFZSVANLBCVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-5-11(2)15-10-19(13(4)9-18-15)16-12(3)7-6-8-14(16)17/h6-8,11,13,15,18H,5,9-10H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine?
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine 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 5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 66254143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).