1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine

C14H20ClFN2 — CID 64923715

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc(F)c(Cl)c2)CCN1
InChIInChI=1S/C14H20ClFN2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-14(16)13(15)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3
InChIKeyOSYLDUYWUQQJFP-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.30
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine

1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64923715) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
PubChem CID64923715
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc(F)c(Cl)c2)CCN1
InChIInChI=1S/C14H20ClFN2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-14(16)13(15)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3
InChIKeyOSYLDUYWUQQJFP-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine (CID 64923715) is 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine is CC(C)CC1CN(c2ccc(F)c(Cl)c2)CCN1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is OSYLDUYWUQQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-14(16)13(15)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine?
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 270.78 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64923715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).