4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid

C11H20FN3O2 — CID 174172104

IUPAC4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2(F)CCNCC2)CC1
InChIInChI=1S/C11H20FN3O2/c12-11(1-3-13-4-2-11)9-14-5-7-15(8-6-14)10(16)17/h13H,1-9H2,(H,16,17)
InChIKeyZITGHKUKRJTFIE-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.37
Rot. Bonds2

About 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid

4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid (PubChem CID 174172104) has the molecular formula C11H20FN3O2 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid
PubChem CID174172104
Molecular FormulaC11H20FN3O2
Molecular Weight245.30 g/mol
Exact Mass245.15
IUPAC Name4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2(F)CCNCC2)CC1
InChIInChI=1S/C11H20FN3O2/c12-11(1-3-13-4-2-11)9-14-5-7-15(8-6-14)10(16)17/h13H,1-9H2,(H,16,17)
InChIKeyZITGHKUKRJTFIE-UHFFFAOYSA-N
XLogP0.37
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid (CID 174172104) is 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(CC2(F)CCNCC2)CC1.
What is the InChIKey of 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid?
The InChIKey is ZITGHKUKRJTFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O2/c12-11(1-3-13-4-2-11)9-14-5-7-15(8-6-14)10(16)17/h13H,1-9H2,(H,16,17).
What are the key properties of 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid?
4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 174172104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).