5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine

C17H27FN2 — CID 64861609

IUPAC5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
SMILESCCC1(CC)CN(Cc2ccccc2F)C(C)(C)CN1
InChIInChI=1S/C17H27FN2/c1-5-17(6-2)13-20(16(3,4)12-19-17)11-14-9-7-8-10-15(14)18/h7-10,19H,5-6,11-13H2,1-4H3
InChIKeyZPSZEKPCNFCKDW-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.57
Rot. Bonds4

About 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine

5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine (PubChem CID 64861609) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
PubChem CID64861609
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
SMILESCCC1(CC)CN(Cc2ccccc2F)C(C)(C)CN1
InChIInChI=1S/C17H27FN2/c1-5-17(6-2)13-20(16(3,4)12-19-17)11-14-9-7-8-10-15(14)18/h7-10,19H,5-6,11-13H2,1-4H3
InChIKeyZPSZEKPCNFCKDW-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperazine
CID 75994
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
Benzathine
CID 8793
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)
CID 2728761
N-Benzylethylenediamine
CID 77801
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
1-Benzyl-4-methyl-piperazine
CID 763557
1-(4-Fluorobenzyl)piperazine
CID 796563
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
1-(3-Phenylpropyl)piperazine
CID 796534
1-(3-Fluorobenzyl)piperazine
CID 903813

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine (CID 64861609) is 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine is CCC1(CC)CN(Cc2ccccc2F)C(C)(C)CN1.
What is the InChIKey of 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is ZPSZEKPCNFCKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-17(6-2)13-20(16(3,4)12-19-17)11-14-9-7-8-10-15(14)18/h7-10,19H,5-6,11-13H2,1-4H3.
What are the key properties of 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine?
5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 278.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 64861609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).