(2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine

C7H15FN2O — CID 175223950

IUPAC(2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine
SMILESCOC[C@@H](F)[C@@H]1CNCCN1
InChIInChI=1S/C7H15FN2O/c1-11-5-6(8)7-4-9-2-3-10-7/h6-7,9-10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyHDDRNHMNVHVXTE-RQJHMYQMSA-N
MW162.21 g/mol
LogP-0.47
Rot. Bonds3

About (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine

(2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine (PubChem CID 175223950) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine
PubChem CID175223950
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name(2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine
SMILESCOC[C@@H](F)[C@@H]1CNCCN1
InChIInChI=1S/C7H15FN2O/c1-11-5-6(8)7-4-9-2-3-10-7/h6-7,9-10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyHDDRNHMNVHVXTE-RQJHMYQMSA-N
XLogP-0.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine?
The IUPAC name of (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine (CID 175223950) is (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine.
What is the SMILES notation for (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine?
The canonical SMILES for (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine is COC[C@@H](F)[C@@H]1CNCCN1.
What is the InChIKey of (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine?
The InChIKey is HDDRNHMNVHVXTE-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-11-5-6(8)7-4-9-2-3-10-7/h6-7,9-10H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine?
(2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine has a molecular weight of 162.21 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine is sourced from PubChem (CID 175223950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).