5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine

C15H23ClN2 — CID 64936737

IUPAC5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2cccc(Cl)c2)C(C)CN1
InChIInChI=1S/C15H23ClN2/c1-4-11(2)15-10-18(12(3)9-17-15)14-7-5-6-13(16)8-14/h5-8,11-12,15,17H,4,9-10H2,1-3H3
InChIKeyPHVJVSHDOXHPIF-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.55
Rot. Bonds3

About 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine

5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine (PubChem CID 64936737) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
PubChem CID64936737
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2cccc(Cl)c2)C(C)CN1
InChIInChI=1S/C15H23ClN2/c1-4-11(2)15-10-18(12(3)9-17-15)14-7-5-6-13(16)8-14/h5-8,11-12,15,17H,4,9-10H2,1-3H3
InChIKeyPHVJVSHDOXHPIF-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
CID 64936927
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143
5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586926
2-methyl-1-(3-methylphenyl)-5-propan-2-ylpiperazine
CID 64952301
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938260
2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64936332
5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
CID 64939257
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64951883
5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
CID 64939227

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine (CID 64936737) is 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine is CCC(C)C1CN(c2cccc(Cl)c2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine?
The InChIKey is PHVJVSHDOXHPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-4-11(2)15-10-18(12(3)9-17-15)14-7-5-6-13(16)8-14/h5-8,11-12,15,17H,4,9-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine?
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine has a molecular weight of 266.82 g/mol, XLogP of 3.55, 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-(3-chlorophenyl)-2-methylpiperazine is sourced from PubChem (CID 64936737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).