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

C16H28FNO3 — CID 145341713

IUPACtert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](OC2CCCCC2)[C@@H](F)C1
InChIInChI=1S/C16H28FNO3/c1-16(2,3)21-15(19)18-10-9-14(13(17)11-18)20-12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyQIMLDKGOYVXCPW-UONOGXRCSA-N
MW301.40 g/mol
LogP3.68
Rot. Bonds2

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

tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate (PubChem CID 145341713) has the molecular formula C16H28FNO3 and a molecular weight of 301.40 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate
PubChem CID145341713
Molecular FormulaC16H28FNO3
Molecular Weight301.40 g/mol
Exact Mass301.21
IUPAC Nametert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](OC2CCCCC2)[C@@H](F)C1
InChIInChI=1S/C16H28FNO3/c1-16(2,3)21-15(19)18-10-9-14(13(17)11-18)20-12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyQIMLDKGOYVXCPW-UONOGXRCSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,4R)-3-fluoro-4-methoxypiperidine-1-carboxylate
CID 90176715
1-Piperidinecarboxylic acid, cyclohexyl ester
CID 179033
Tert-butyl 6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90176680
tert-butyl (3R,4S)-3-fluoro-4-methoxypiperidine-1-carboxylate
CID 90178301
tert-butyl (5S,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90183866
tert-butyl (5R,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90183867
tert-butyl (3R,4R)-3-fluoro-4-methoxypiperidine-1-carboxylate
CID 117802428
CID 125483028
CID 125483028
CID 125483029
CID 125483029
tert-butyl (3R)-3-fluoro-4-propoxypiperidine-1-carboxylate
CID 129270781
tert-butyl (4S)-3-fluoro-4-methoxypiperidine-1-carboxylate
CID 129271055
tert-butyl (4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate
CID 129294531

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate (CID 145341713) is tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](OC2CCCCC2)[C@@H](F)C1.
What is the InChIKey of tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate?
The InChIKey is QIMLDKGOYVXCPW-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28FNO3/c1-16(2,3)21-15(19)18-10-9-14(13(17)11-18)20-12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate?
tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate has a molecular weight of 301.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 145341713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).