1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine

C13H26FN3 — CID 145302364

IUPAC1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine
SMILESCCN1CCN(CCC2CCN(F)CC2)CC1
InChIInChI=1S/C13H26FN3/c1-2-15-9-11-16(12-10-15)6-3-13-4-7-17(14)8-5-13/h13H,2-12H2,1H3
InChIKeyYPXRVCVUGNHNJD-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.61
Rot. Bonds4

About 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine

1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine (PubChem CID 145302364) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine
PubChem CID145302364
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine
SMILESCCN1CCN(CCC2CCN(F)CC2)CC1
InChIInChI=1S/C13H26FN3/c1-2-15-9-11-16(12-10-15)6-3-13-4-7-17(14)8-5-13/h13H,2-12H2,1H3
InChIKeyYPXRVCVUGNHNJD-UHFFFAOYSA-N
XLogP1.61
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine (CID 145302364) is 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine is CCN1CCN(CCC2CCN(F)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine?
The InChIKey is YPXRVCVUGNHNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-2-15-9-11-16(12-10-15)6-3-13-4-7-17(14)8-5-13/h13H,2-12H2,1H3.
What are the key properties of 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine?
1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine has a molecular weight of 243.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 145302364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).