1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine

C13H25FN2 — CID 166113279

IUPAC1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine
SMILESCCN1CCC(CN2CCCC(F)C2)CC1
InChIInChI=1S/C13H25FN2/c1-2-15-8-5-12(6-9-15)10-16-7-3-4-13(14)11-16/h12-13H,2-11H2,1H3
InChIKeyHKBLOCYQFLJSHJ-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.15
Rot. Bonds3

About 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine

1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine (PubChem CID 166113279) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine
PubChem CID166113279
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine
SMILESCCN1CCC(CN2CCCC(F)C2)CC1
InChIInChI=1S/C13H25FN2/c1-2-15-8-5-12(6-9-15)10-16-7-3-4-13(14)11-16/h12-13H,2-11H2,1H3
InChIKeyHKBLOCYQFLJSHJ-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine (CID 166113279) is 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine is CCN1CCC(CN2CCCC(F)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine?
The InChIKey is HKBLOCYQFLJSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-2-15-8-5-12(6-9-15)10-16-7-3-4-13(14)11-16/h12-13H,2-11H2,1H3.
What are the key properties of 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine?
1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine has a molecular weight of 228.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 166113279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).