1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane

C24H37FN2 — CID 142374999

IUPAC1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane
SMILESCC.CC.CC1CN(Cc2ccccc2)CC(CF)N1Cc1ccccc1
InChIInChI=1S/C20H25FN2.2C2H6/c1-17-13-22(14-18-8-4-2-5-9-18)16-20(12-21)23(17)15-19-10-6-3-7-11-19;2*1-2/h2-11,17,20H,12-16H2,1H3;2*1-2H3
InChIKeyDENOVLLEMBNVAK-UHFFFAOYSA-N
MW372.57 g/mol
LogP5.78
Rot. Bonds5

About 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane

1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane (PubChem CID 142374999) has the molecular formula C24H37FN2 and a molecular weight of 372.57 g/mol. Its IUPAC name is 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane.

Molecular Properties

Compound Name1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane
PubChem CID142374999
Molecular FormulaC24H37FN2
Molecular Weight372.57 g/mol
Exact Mass372.29
IUPAC Name1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane
SMILESCC.CC.CC1CN(Cc2ccccc2)CC(CF)N1Cc1ccccc1
InChIInChI=1S/C20H25FN2.2C2H6/c1-17-13-22(14-18-8-4-2-5-9-18)16-20(12-21)23(17)15-19-10-6-3-7-11-19;2*1-2/h2-11,17,20H,12-16H2,1H3;2*1-2H3
InChIKeyDENOVLLEMBNVAK-UHFFFAOYSA-N
XLogP5.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol
CID 118407524
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 144920787
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
4-[[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 135259892
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane?
The IUPAC name of 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane (CID 142374999) is 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane.
What is the SMILES notation for 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane?
The canonical SMILES for 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane is CC.CC.CC1CN(Cc2ccccc2)CC(CF)N1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane?
The InChIKey is DENOVLLEMBNVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2.2C2H6/c1-17-13-22(14-18-8-4-2-5-9-18)16-20(12-21)23(17)15-19-10-6-3-7-11-19;2*1-2/h2-11,17,20H,12-16H2,1H3;2*1-2H3.
What are the key properties of 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane?
1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane has a molecular weight of 372.57 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane is sourced from PubChem (CID 142374999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).