1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine

C17H33FN2 — CID 169016244

IUPAC1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine
SMILESCC(C)(C)C1CN(CC2(F)CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H33FN2/c1-15(2,3)14-11-19(12-14)13-17(18)7-9-20(10-8-17)16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyKOQNUAGPSBTKGF-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.57
Rot. Bonds2

About 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine

1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine (PubChem CID 169016244) has the molecular formula C17H33FN2 and a molecular weight of 284.46 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine
PubChem CID169016244
Molecular FormulaC17H33FN2
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC Name1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine
SMILESCC(C)(C)C1CN(CC2(F)CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H33FN2/c1-15(2,3)14-11-19(12-14)13-17(18)7-9-20(10-8-17)16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyKOQNUAGPSBTKGF-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine (CID 169016244) is 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine is CC(C)(C)C1CN(CC2(F)CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine?
The InChIKey is KOQNUAGPSBTKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2/c1-15(2,3)14-11-19(12-14)13-17(18)7-9-20(10-8-17)16(4,5)6/h14H,7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine?
1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine has a molecular weight of 284.46 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 169016244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).