6-(3-fluorophenyl)-2,2-dimethylpiperazine

C12H17FN2 — CID 82395314

IUPAC6-(3-fluorophenyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCC(c2cccc(F)c2)N1
InChIInChI=1S/C12H17FN2/c1-12(2)8-14-7-11(15-12)9-4-3-5-10(13)6-9/h3-6,11,14-15H,7-8H2,1-2H3
InChIKeyVMIWCOJPJDNZNX-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.84
Rot. Bonds1

About 6-(3-fluorophenyl)-2,2-dimethylpiperazine

6-(3-fluorophenyl)-2,2-dimethylpiperazine (PubChem CID 82395314) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2,2-dimethylpiperazine
PubChem CID82395314
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name6-(3-fluorophenyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCC(c2cccc(F)c2)N1
InChIInChI=1S/C12H17FN2/c1-12(2)8-14-7-11(15-12)9-4-3-5-10(13)6-9/h3-6,11,14-15H,7-8H2,1-2H3
InChIKeyVMIWCOJPJDNZNX-UHFFFAOYSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine
CID 82386691
6-(3,4-dimethylphenyl)-2,2-dimethylpiperazine
CID 82393141
6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine
CID 82390274
5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol
CID 143961477
2-(6,6-dimethylpiperazin-2-yl)phenol
CID 82395867
(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 67330070
3-(3-fluorophenyl)-1-methylpyrazolidine
CID 163747853
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine
CID 66684519
2-(3-fluorophenyl)-1,3-dithiane
CID 71345753
3-(3-fluorophenyl)azetidine;heptane;hydrochloride
CID 175294675

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2,2-dimethylpiperazine?
The IUPAC name of 6-(3-fluorophenyl)-2,2-dimethylpiperazine (CID 82395314) is 6-(3-fluorophenyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 6-(3-fluorophenyl)-2,2-dimethylpiperazine?
The canonical SMILES for 6-(3-fluorophenyl)-2,2-dimethylpiperazine is CC1(C)CNCC(c2cccc(F)c2)N1.
What is the InChIKey of 6-(3-fluorophenyl)-2,2-dimethylpiperazine?
The InChIKey is VMIWCOJPJDNZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-12(2)8-14-7-11(15-12)9-4-3-5-10(13)6-9/h3-6,11,14-15H,7-8H2,1-2H3.
What are the key properties of 6-(3-fluorophenyl)-2,2-dimethylpiperazine?
6-(3-fluorophenyl)-2,2-dimethylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 82395314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).