(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine

C13H21FN2 — CID 90268007

IUPAC(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
SMILESCC1CC(N2CCN(C)[C@H](C)C2)=CC=C1F
InChIInChI=1S/C13H21FN2/c1-10-8-12(4-5-13(10)14)16-7-6-15(3)11(2)9-16/h4-5,10-11H,6-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyHVTYGAYZMNOKPY-RRKGBCIJSA-N
MW224.32 g/mol
LogP2.40
Rot. Bonds1

About (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine

(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine (PubChem CID 90268007) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
PubChem CID90268007
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
SMILESCC1CC(N2CCN(C)[C@H](C)C2)=CC=C1F
InChIInChI=1S/C13H21FN2/c1-10-8-12(4-5-13(10)14)16-7-6-15(3)11(2)9-16/h4-5,10-11H,6-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyHVTYGAYZMNOKPY-RRKGBCIJSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine?
The IUPAC name of (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine (CID 90268007) is (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine.
What is the SMILES notation for (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine?
The canonical SMILES for (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine is CC1CC(N2CCN(C)[C@H](C)C2)=CC=C1F.
What is the InChIKey of (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine?
The InChIKey is HVTYGAYZMNOKPY-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10-8-12(4-5-13(10)14)16-7-6-15(3)11(2)9-16/h4-5,10-11H,6-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine?
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine has a molecular weight of 224.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine is sourced from PubChem (CID 90268007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).