4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one

C10H19FN4O — CID 123300320

IUPAC4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(C2C(N)CNCC2F)CC1=O
InChIInChI=1S/C10H19FN4O/c1-14-2-3-15(6-9(14)16)10-7(11)4-13-5-8(10)12/h7-8,10,13H,2-6,12H2,1H3
InChIKeyXPOHEJXFTMSZMK-UHFFFAOYSA-N
MW230.29 g/mol
LogP-1.60
Rot. Bonds1

About 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one

4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one (PubChem CID 123300320) has the molecular formula C10H19FN4O and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one
PubChem CID123300320
Molecular FormulaC10H19FN4O
Molecular Weight230.29 g/mol
Exact Mass230.15
IUPAC Name4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(C2C(N)CNCC2F)CC1=O
InChIInChI=1S/C10H19FN4O/c1-14-2-3-15(6-9(14)16)10-7(11)4-13-5-8(10)12/h7-8,10,13H,2-6,12H2,1H3
InChIKeyXPOHEJXFTMSZMK-UHFFFAOYSA-N
XLogP-1.60
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one (CID 123300320) is 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one is CN1CCN(C2C(N)CNCC2F)CC1=O.
What is the InChIKey of 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one?
The InChIKey is XPOHEJXFTMSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4O/c1-14-2-3-15(6-9(14)16)10-7(11)4-13-5-8(10)12/h7-8,10,13H,2-6,12H2,1H3.
What are the key properties of 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one?
4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one has a molecular weight of 230.29 g/mol, XLogP of -1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 123300320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).