1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine

C17H33FN2 — CID 129258302

IUPAC1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
SMILESCC1CN(C2CCN(C(C)(C)C)CC2)CC(C)C1(C)F
InChIInChI=1S/C17H33FN2/c1-13-11-19(12-14(2)17(13,6)18)15-7-9-20(10-8-15)16(3,4)5/h13-15H,7-12H2,1-6H3
InChIKeyUWIBWNZOTMYRPJ-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.57
Rot. Bonds1

About 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine

1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine (PubChem CID 129258302) has the molecular formula C17H33FN2 and a molecular weight of 284.46 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
PubChem CID129258302
Molecular FormulaC17H33FN2
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
SMILESCC1CN(C2CCN(C(C)(C)C)CC2)CC(C)C1(C)F
InChIInChI=1S/C17H33FN2/c1-13-11-19(12-14(2)17(13,6)18)15-7-9-20(10-8-15)16(3,4)5/h13-15H,7-12H2,1-6H3
InChIKeyUWIBWNZOTMYRPJ-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine (CID 129258302) is 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine is CC1CN(C2CCN(C(C)(C)C)CC2)CC(C)C1(C)F.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine?
The InChIKey is UWIBWNZOTMYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2/c1-13-11-19(12-14(2)17(13,6)18)15-7-9-20(10-8-15)16(3,4)5/h13-15H,7-12H2,1-6H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine?
1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine has a molecular weight of 284.46 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine is sourced from PubChem (CID 129258302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).