1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine

C15H22ClFN2 — CID 64935877

IUPAC1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2cccc(Cl)c2F)C(C)CN1
InChIInChI=1S/C15H22ClFN2/c1-10(2)7-12-9-19(11(3)8-18-12)14-6-4-5-13(16)15(14)17/h4-6,10-12,18H,7-9H2,1-3H3
InChIKeyOBOSECAYDXXSDR-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.69
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine

1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64935877) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64935877
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2cccc(Cl)c2F)C(C)CN1
InChIInChI=1S/C15H22ClFN2/c1-10(2)7-12-9-19(11(3)8-18-12)14-6-4-5-13(16)15(14)17/h4-6,10-12,18H,7-9H2,1-3H3
InChIKeyOBOSECAYDXXSDR-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine (CID 64935877) is 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine is CC(C)CC1CN(c2cccc(Cl)c2F)C(C)CN1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is OBOSECAYDXXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10(2)7-12-9-19(11(3)8-18-12)14-6-4-5-13(16)15(14)17/h4-6,10-12,18H,7-9H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 284.81 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).