1-tert-butyl-4-ethyl-4-fluoropiperidine

C11H22FN — CID 66981419

IUPAC1-tert-butyl-4-ethyl-4-fluoropiperidine
SMILESCCC1(F)CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H22FN/c1-5-11(12)6-8-13(9-7-11)10(2,3)4/h5-9H2,1-4H3
InChIKeyNAMTUGAYKNRDBZ-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.00
Rot. Bonds1

About 1-tert-butyl-4-ethyl-4-fluoropiperidine

1-tert-butyl-4-ethyl-4-fluoropiperidine (PubChem CID 66981419) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-4-fluoropiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-ethyl-4-fluoropiperidine
PubChem CID66981419
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-tert-butyl-4-ethyl-4-fluoropiperidine
SMILESCCC1(F)CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H22FN/c1-5-11(12)6-8-13(9-7-11)10(2,3)4/h5-9H2,1-4H3
InChIKeyNAMTUGAYKNRDBZ-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-4-fluoropiperidine?
The IUPAC name of 1-tert-butyl-4-ethyl-4-fluoropiperidine (CID 66981419) is 1-tert-butyl-4-ethyl-4-fluoropiperidine.
What is the SMILES notation for 1-tert-butyl-4-ethyl-4-fluoropiperidine?
The canonical SMILES for 1-tert-butyl-4-ethyl-4-fluoropiperidine is CCC1(F)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethyl-4-fluoropiperidine?
The InChIKey is NAMTUGAYKNRDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-5-11(12)6-8-13(9-7-11)10(2,3)4/h5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethyl-4-fluoropiperidine?
1-tert-butyl-4-ethyl-4-fluoropiperidine has a molecular weight of 187.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethyl-4-fluoropiperidine is sourced from PubChem (CID 66981419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).