1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine

C17H18ClFN2 — CID 64925327

IUPAC1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(c2ccc(Cl)cc2F)CCN1
InChIInChI=1S/C17H18ClFN2/c1-17(13-5-3-2-4-6-13)12-21(10-9-20-17)16-8-7-14(18)11-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyFTTOJLXMJCODSO-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.80
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine

1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine (PubChem CID 64925327) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine
PubChem CID64925327
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(c2ccc(Cl)cc2F)CCN1
InChIInChI=1S/C17H18ClFN2/c1-17(13-5-3-2-4-6-13)12-21(10-9-20-17)16-8-7-14(18)11-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyFTTOJLXMJCODSO-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine (CID 64925327) is 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine is CC1(c2ccccc2)CN(c2ccc(Cl)cc2F)CCN1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine?
The InChIKey is FTTOJLXMJCODSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c1-17(13-5-3-2-4-6-13)12-21(10-9-20-17)16-8-7-14(18)11-15(16)19/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine?
1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine has a molecular weight of 304.80 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64925327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).