3-fluoro-2,2,4,6,6-pentamethylpiperidine

C10H20FN — CID 177202650

IUPAC3-fluoro-2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)NC(C)(C)C1F
InChIInChI=1S/C10H20FN/c1-7-6-9(2,3)12-10(4,5)8(7)11/h7-8,12H,6H2,1-5H3
InChIKeyNZPWAQRVNWKYPS-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.51
Rot. Bonds

About 3-fluoro-2,2,4,6,6-pentamethylpiperidine

3-fluoro-2,2,4,6,6-pentamethylpiperidine (PubChem CID 177202650) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-fluoro-2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name3-fluoro-2,2,4,6,6-pentamethylpiperidine
PubChem CID177202650
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name3-fluoro-2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)NC(C)(C)C1F
InChIInChI=1S/C10H20FN/c1-7-6-9(2,3)12-10(4,5)8(7)11/h7-8,12H,6H2,1-5H3
InChIKeyNZPWAQRVNWKYPS-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of 3-fluoro-2,2,4,6,6-pentamethylpiperidine (CID 177202650) is 3-fluoro-2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for 3-fluoro-2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for 3-fluoro-2,2,4,6,6-pentamethylpiperidine is CC1CC(C)(C)NC(C)(C)C1F.
What is the InChIKey of 3-fluoro-2,2,4,6,6-pentamethylpiperidine?
The InChIKey is NZPWAQRVNWKYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-7-6-9(2,3)12-10(4,5)8(7)11/h7-8,12H,6H2,1-5H3.
What are the key properties of 3-fluoro-2,2,4,6,6-pentamethylpiperidine?
3-fluoro-2,2,4,6,6-pentamethylpiperidine has a molecular weight of 173.27 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 177202650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).