2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite

C10H21FN2O — CID 138600639

IUPAC2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite
SMILESCNCCC1CCN(CCOF)CC1
InChIInChI=1S/C10H21FN2O/c1-12-5-2-10-3-6-13(7-4-10)8-9-14-11/h10,12H,2-9H2,1H3
InChIKeyAMERWBZXRWOAEZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.21
Rot. Bonds6

About 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite

2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite (PubChem CID 138600639) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite.

Molecular Properties

Compound Name2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite
PubChem CID138600639
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite
SMILESCNCCC1CCN(CCOF)CC1
InChIInChI=1S/C10H21FN2O/c1-12-5-2-10-3-6-13(7-4-10)8-9-14-11/h10,12H,2-9H2,1H3
InChIKeyAMERWBZXRWOAEZ-UHFFFAOYSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite?
The IUPAC name of 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite (CID 138600639) is 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite.
What is the SMILES notation for 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite?
The canonical SMILES for 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite is CNCCC1CCN(CCOF)CC1.
What is the InChIKey of 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite?
The InChIKey is AMERWBZXRWOAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-12-5-2-10-3-6-13(7-4-10)8-9-14-11/h10,12H,2-9H2,1H3.
What are the key properties of 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite?
2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite has a molecular weight of 204.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl hypofluorite is sourced from PubChem (CID 138600639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).