(5S)-1-fluoro-2,4,5-trimethylpiperazine

C7H15FN2 — CID 143310878

IUPAC(5S)-1-fluoro-2,4,5-trimethylpiperazine
SMILESCC1CN(C)[C@@H](C)CN1F
InChIInChI=1S/C7H15FN2/c1-6-5-10(8)7(2)4-9(6)3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyQJYZMYGTCHOPIR-PKPIPKONSA-N
MW146.21 g/mol
LogP0.90
Rot. Bonds

About (5S)-1-fluoro-2,4,5-trimethylpiperazine

(5S)-1-fluoro-2,4,5-trimethylpiperazine (PubChem CID 143310878) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is (5S)-1-fluoro-2,4,5-trimethylpiperazine.

Molecular Properties

Compound Name(5S)-1-fluoro-2,4,5-trimethylpiperazine
PubChem CID143310878
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(5S)-1-fluoro-2,4,5-trimethylpiperazine
SMILESCC1CN(C)[C@@H](C)CN1F
InChIInChI=1S/C7H15FN2/c1-6-5-10(8)7(2)4-9(6)3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyQJYZMYGTCHOPIR-PKPIPKONSA-N
XLogP0.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1,2,4-Trimethylpiperazine
CID 98933
(2R)-1,2,4-Trimethylpiperazine
CID 12659078
1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
1-(2-Fluoropropyl)-4-propan-2-ylpiperazine
CID 58366831
1-Fluoro-4-methylpiperazine
CID 88211611
1,4-Dimethyl-2-(trifluoromethyl)piperazine
CID 89212727
4-Fluoro-1-methyl-1-propylpiperazin-1-ium
CID 123207474
(2S)-4-(2-fluoropropyl)-2-methyl-1-propan-2-ylpiperazine
CID 124098816
(2R)-4-(2-fluoropropyl)-2-methyl-1-propan-2-ylpiperazine
CID 124098821
4-(2-Fluoroethyl)-1,2-dimethylpiperazine
CID 126994663
1-Fluoro-4-propylpiperazine
CID 129093607
1-(2-Fluoroethyl)-2,4-dimethylpiperazine
CID 130716830

Frequently Asked Questions

What is the IUPAC name of (5S)-1-fluoro-2,4,5-trimethylpiperazine?
The IUPAC name of (5S)-1-fluoro-2,4,5-trimethylpiperazine (CID 143310878) is (5S)-1-fluoro-2,4,5-trimethylpiperazine.
What is the SMILES notation for (5S)-1-fluoro-2,4,5-trimethylpiperazine?
The canonical SMILES for (5S)-1-fluoro-2,4,5-trimethylpiperazine is CC1CN(C)[C@@H](C)CN1F.
What is the InChIKey of (5S)-1-fluoro-2,4,5-trimethylpiperazine?
The InChIKey is QJYZMYGTCHOPIR-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15FN2/c1-6-5-10(8)7(2)4-9(6)3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of (5S)-1-fluoro-2,4,5-trimethylpiperazine?
(5S)-1-fluoro-2,4,5-trimethylpiperazine has a molecular weight of 146.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-fluoro-2,4,5-trimethylpiperazine is sourced from PubChem (CID 143310878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).