(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine

C13H21FN2 — CID 141346483

IUPAC(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine
SMILESC[C@@H]1CN[C@@H](C)CN1CC1(F)C=CC=CC1
InChIInChI=1S/C13H21FN2/c1-11-9-16(12(2)8-15-11)10-13(14)6-4-3-5-7-13/h3-6,11-12,15H,7-10H2,1-2H3/t11-,12+,13?/m0/s1
InChIKeyLZFNPJPWEPHTNH-LAGVYOHYSA-N
MW224.32 g/mol
LogP1.89
Rot. Bonds2

About (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine

(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine (PubChem CID 141346483) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine
PubChem CID141346483
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine
SMILESC[C@@H]1CN[C@@H](C)CN1CC1(F)C=CC=CC1
InChIInChI=1S/C13H21FN2/c1-11-9-16(12(2)8-15-11)10-13(14)6-4-3-5-7-13/h3-6,11-12,15H,7-10H2,1-2H3/t11-,12+,13?/m0/s1
InChIKeyLZFNPJPWEPHTNH-LAGVYOHYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine (CID 141346483) is (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine is C[C@@H]1CN[C@@H](C)CN1CC1(F)C=CC=CC1.
What is the InChIKey of (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine?
The InChIKey is LZFNPJPWEPHTNH-LAGVYOHYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-11-9-16(12(2)8-15-11)10-13(14)6-4-3-5-7-13/h3-6,11-12,15H,7-10H2,1-2H3/t11-,12+,13?/m0/s1.
What are the key properties of (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine?
(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine has a molecular weight of 224.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 141346483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).