1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine

C14H20F2N2 — CID 82819376

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2c(F)ccc(C)c2F)CCN1
InChIInChI=1S/C14H20F2N2/c1-4-14(3)9-18(8-7-17-14)13-11(15)6-5-10(2)12(13)16/h5-6,17H,4,7-9H2,1-3H3
InChIKeyNOVIILHSXRZNOL-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.85
Rot. Bonds2

About 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine

1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine (PubChem CID 82819376) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine
PubChem CID82819376
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2c(F)ccc(C)c2F)CCN1
InChIInChI=1S/C14H20F2N2/c1-4-14(3)9-18(8-7-17-14)13-11(15)6-5-10(2)12(13)16/h5-6,17H,4,7-9H2,1-3H3
InChIKeyNOVIILHSXRZNOL-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-ethyl-3-methylaniline
CID 7603
1-(2-Fluorophenyl)piperazine
CID 70529
1-(3-Fluorophenyl)piperazine
CID 77418
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
LY-165163
CID 121930
1-(4-Fluorophenyl)piperazine
CID 75260
TFMPP hydrochloride
CID 3084246
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CID 23741730
3-Fluoro-4-piperazin-1-yl-benzonitrile
CID 596113
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
1-(2,3-Xylyl)piperazine
CID 70541

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine (CID 82819376) is 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine is CCC1(C)CN(c2c(F)ccc(C)c2F)CCN1.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine?
The InChIKey is NOVIILHSXRZNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-4-14(3)9-18(8-7-17-14)13-11(15)6-5-10(2)12(13)16/h5-6,17H,4,7-9H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine?
1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine has a molecular weight of 254.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 82819376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).