(2S)-2-(fluoromethyl)-1,4-dimethylpiperazine

C7H15FN2 — CID 168938950

IUPAC(2S)-2-(fluoromethyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)[C@H](CF)C1
InChIInChI=1S/C7H15FN2/c1-9-3-4-10(2)7(5-8)6-9/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyYZGFUFKLVTVTAN-SSDOTTSWSA-N
MW146.21 g/mol
LogP0.20
Rot. Bonds1

About (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine

(2S)-2-(fluoromethyl)-1,4-dimethylpiperazine (PubChem CID 168938950) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-1,4-dimethylpiperazine
PubChem CID168938950
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(2S)-2-(fluoromethyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)[C@H](CF)C1
InChIInChI=1S/C7H15FN2/c1-9-3-4-10(2)7(5-8)6-9/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyYZGFUFKLVTVTAN-SSDOTTSWSA-N
XLogP0.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine?
The IUPAC name of (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine (CID 168938950) is (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine.
What is the SMILES notation for (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine?
The canonical SMILES for (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine is CN1CCN(C)[C@H](CF)C1.
What is the InChIKey of (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine?
The InChIKey is YZGFUFKLVTVTAN-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15FN2/c1-9-3-4-10(2)7(5-8)6-9/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine?
(2S)-2-(fluoromethyl)-1,4-dimethylpiperazine has a molecular weight of 146.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-1,4-dimethylpiperazine is sourced from PubChem (CID 168938950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).