1-(2-chloro-4-fluorophenyl)-2-methylpiperazine

C11H14ClFN2 — CID 64939001

IUPAC1-(2-chloro-4-fluorophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2/c1-8-7-14-4-5-15(8)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyYXSBPRDHVUGCQV-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.28
Rot. Bonds1

About 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine

1-(2-chloro-4-fluorophenyl)-2-methylpiperazine (PubChem CID 64939001) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-methylpiperazine
PubChem CID64939001
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2/c1-8-7-14-4-5-15(8)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyYXSBPRDHVUGCQV-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine (CID 64939001) is 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine is CC1CNCCN1c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine?
The InChIKey is YXSBPRDHVUGCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-8-7-14-4-5-15(8)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine?
1-(2-chloro-4-fluorophenyl)-2-methylpiperazine has a molecular weight of 228.70 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-methylpiperazine is sourced from PubChem (CID 64939001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).