3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine

C15H22Cl2N2 — CID 64832896

IUPAC3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine
SMILESCCC(C)C1CN(Cc2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C15H22Cl2N2/c1-3-11(2)15-10-19(7-6-18-15)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3
InChIKeyAWVMFOHTEGEPLX-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.81
Rot. Bonds4

About 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine

3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine (PubChem CID 64832896) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine
PubChem CID64832896
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine
SMILESCCC(C)C1CN(Cc2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C15H22Cl2N2/c1-3-11(2)15-10-19(7-6-18-15)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3
InChIKeyAWVMFOHTEGEPLX-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-[(4-chloro-2-fluorophenyl)methyl]piperazine
CID 114860303
3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64871546
1-[(4-bromo-2-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 113471566
3-butan-2-yl-1-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 64834310
3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine
CID 64924861
3-butan-2-yl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375654
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
CID 64831519
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64833210
4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
CID 79232784
3-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64952957
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
CID 64843293

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine?
The IUPAC name of 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine (CID 64832896) is 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine is CCC(C)C1CN(Cc2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine?
The InChIKey is AWVMFOHTEGEPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-3-11(2)15-10-19(7-6-18-15)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine?
3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine has a molecular weight of 301.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 64832896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).