1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine

C13H25FN2 — CID 122606373

IUPAC1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine
SMILESCC1(F)CCN(C2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/C13H25FN2/c1-12(2,3)16-9-11(10-16)15-7-5-13(4,14)6-8-15/h11H,5-10H2,1-4H3
InChIKeyRJPQFTDVVTYENA-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.29
Rot. Bonds1

About 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine

1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine (PubChem CID 122606373) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine
PubChem CID122606373
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine
SMILESCC1(F)CCN(C2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/C13H25FN2/c1-12(2,3)16-9-11(10-16)15-7-5-13(4,14)6-8-15/h11H,5-10H2,1-4H3
InChIKeyRJPQFTDVVTYENA-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine (CID 122606373) is 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine is CC1(F)CCN(C2CN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine?
The InChIKey is RJPQFTDVVTYENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-12(2,3)16-9-11(10-16)15-7-5-13(4,14)6-8-15/h11H,5-10H2,1-4H3.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine?
1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine has a molecular weight of 228.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 122606373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).