1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine

C16H24ClFN2 — CID 64838030

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2c(F)cccc2Cl)C(C)(C)CN1
InChIInChI=1S/C16H24ClFN2/c1-4-6-12-9-20(16(2,3)11-19-12)10-13-14(17)7-5-8-15(13)18/h5,7-8,12,19H,4,6,9-11H2,1-3H3
InChIKeyKCMIQUZYVQLEOZ-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.83
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine

1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine (PubChem CID 64838030) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
PubChem CID64838030
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2c(F)cccc2Cl)C(C)(C)CN1
InChIInChI=1S/C16H24ClFN2/c1-4-6-12-9-20(16(2,3)11-19-12)10-13-14(17)7-5-8-15(13)18/h5,7-8,12,19H,4,6,9-11H2,1-3H3
InChIKeyKCMIQUZYVQLEOZ-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine (CID 64838030) is 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine is CCCC1CN(Cc2c(F)cccc2Cl)C(C)(C)CN1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The InChIKey is KCMIQUZYVQLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-4-6-12-9-20(16(2,3)11-19-12)10-13-14(17)7-5-8-15(13)18/h5,7-8,12,19H,4,6,9-11H2,1-3H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine has a molecular weight of 298.83 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine is sourced from PubChem (CID 64838030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).