(3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine

C11H22FN — CID 58394716

IUPAC(3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine
SMILESCCN1CC[C@@H](C(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C11H22FN/c1-5-13-7-6-9(10(12)8-13)11(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyUKYDFIXTBUSAMR-ZJUUUORDSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds1

About (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine

(3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine (PubChem CID 58394716) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine.

Molecular Properties

Compound Name(3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine
PubChem CID58394716
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine
SMILESCCN1CC[C@@H](C(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C11H22FN/c1-5-13-7-6-9(10(12)8-13)11(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyUKYDFIXTBUSAMR-ZJUUUORDSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
1,4,4-Trimethylpiperidine
CID 136794
4-Tert-butyl-1-ethylpiperidine
CID 287952
Piperidine, 4-(1,1-dimethylethyl)-1-methyl-
CID 435047
1,3,4-Trimethylpiperidine
CID 14454423
1-Ethyl-3,3-dimethylpiperidine
CID 21606938
1-[1-Methyl-4-(propan-2-yl)piperidin-4-yl]methanamine
CID 82598285
1-(But-3-yn-1-yl)-3,3,4-trimethylpiperidine
CID 131039745
(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine
CID 135037327
5-Fluoro-1,2,2,3,3-pentamethylpiperidine
CID 176438888
4-Tert-butyl-1-propan-2-ylpiperidine
CID 12722193

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine?
The IUPAC name of (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine (CID 58394716) is (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine.
What is the SMILES notation for (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine?
The canonical SMILES for (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine is CCN1CC[C@@H](C(C)(C)C)[C@@H](F)C1.
What is the InChIKey of (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine?
The InChIKey is UKYDFIXTBUSAMR-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22FN/c1-5-13-7-6-9(10(12)8-13)11(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine?
(3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine is sourced from PubChem (CID 58394716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).