(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine

C12H19FN2 — CID 144662385

IUPAC(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
SMILESC[C@@H]1CN(C2=CC=C(F)CC2)CCN1C
InChIInChI=1S/C12H19FN2/c1-10-9-15(8-7-14(10)2)12-5-3-11(13)4-6-12/h3,5,10H,4,6-9H2,1-2H3/t10-/m1/s1
InChIKeyPVKOWCIIYGVBAS-SNVBAGLBSA-N
MW210.30 g/mol
LogP2.15
Rot. Bonds1

About (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine

(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine (PubChem CID 144662385) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
PubChem CID144662385
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
SMILESC[C@@H]1CN(C2=CC=C(F)CC2)CCN1C
InChIInChI=1S/C12H19FN2/c1-10-9-15(8-7-14(10)2)12-5-3-11(13)4-6-12/h3,5,10H,4,6-9H2,1-2H3/t10-/m1/s1
InChIKeyPVKOWCIIYGVBAS-SNVBAGLBSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
1-(6-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 71154189
(1S)-3-fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473881
3-Fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473979
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-sulfanylpiperazine
CID 123854731
6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
CID 123867464
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine?
The IUPAC name of (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine (CID 144662385) is (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine.
What is the SMILES notation for (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine?
The canonical SMILES for (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine is C[C@@H]1CN(C2=CC=C(F)CC2)CCN1C.
What is the InChIKey of (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine?
The InChIKey is PVKOWCIIYGVBAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19FN2/c1-10-9-15(8-7-14(10)2)12-5-3-11(13)4-6-12/h3,5,10H,4,6-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine?
(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine has a molecular weight of 210.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine is sourced from PubChem (CID 144662385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).