1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine

C15H22F2N2 — CID 114934579

IUPAC1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1c(F)cccc1F
InChIInChI=1S/C15H22F2N2/c1-4-11-8-18-15(2,3)10-19(11)9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3
InChIKeyNWUUZSDPMPCOCX-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.93
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine

1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 114934579) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID114934579
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1c(F)cccc1F
InChIInChI=1S/C15H22F2N2/c1-4-11-8-18-15(2,3)10-19(11)9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3
InChIKeyNWUUZSDPMPCOCX-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822
1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 114934587
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408622
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
1-[(4-bromothiophen-2-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64839682

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine (CID 114934579) is 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is NWUUZSDPMPCOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-4-11-8-18-15(2,3)10-19(11)9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 114934579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).