1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine

C13H26FN3 — CID 59625143

IUPAC1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine
SMILESCC(C)(C)N1CCN(C2CCN(F)CC2)CC1
InChIInChI=1S/C13H26FN3/c1-13(2,3)16-10-8-15(9-11-16)12-4-6-17(14)7-5-12/h12H,4-11H2,1-3H3
InChIKeyDHOGJVZCBIBEQD-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.75
Rot. Bonds1

About 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine

1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine (PubChem CID 59625143) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine
PubChem CID59625143
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine
SMILESCC(C)(C)N1CCN(C2CCN(F)CC2)CC1
InChIInChI=1S/C13H26FN3/c1-13(2,3)16-10-8-15(9-11-16)12-4-6-17(14)7-5-12/h12H,4-11H2,1-3H3
InChIKeyDHOGJVZCBIBEQD-UHFFFAOYSA-N
XLogP1.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.75
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-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine?
The IUPAC name of 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine (CID 59625143) is 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine is CC(C)(C)N1CCN(C2CCN(F)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine?
The InChIKey is DHOGJVZCBIBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-13(2,3)16-10-8-15(9-11-16)12-4-6-17(14)7-5-12/h12H,4-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine?
1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine has a molecular weight of 243.37 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-fluoropiperidin-4-yl)piperazine is sourced from PubChem (CID 59625143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).