4-(2-tert-butyl-4-fluorophenoxy)piperidine

C15H22FNO — CID 46941721

IUPAC4-(2-tert-butyl-4-fluorophenoxy)piperidine
SMILESCC(C)(C)c1cc(F)ccc1OC1CCNCC1
InChIInChI=1S/C15H22FNO/c1-15(2,3)13-10-11(16)4-5-14(13)18-12-6-8-17-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeyIBAIAGMMKCNPLA-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.25
Rot. Bonds2

About 4-(2-tert-butyl-4-fluorophenoxy)piperidine

4-(2-tert-butyl-4-fluorophenoxy)piperidine (PubChem CID 46941721) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(2-tert-butyl-4-fluorophenoxy)piperidine
PubChem CID46941721
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-(2-tert-butyl-4-fluorophenoxy)piperidine
SMILESCC(C)(C)c1cc(F)ccc1OC1CCNCC1
InChIInChI=1S/C15H22FNO/c1-15(2,3)13-10-11(16)4-5-14(13)18-12-6-8-17-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeyIBAIAGMMKCNPLA-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
CID 56830922
(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine
CID 122436128
4-(2-tert-butyl-5-methylphenoxy)piperidine
CID 43131499
4-(2-ethyl-4-fluorophenoxy)piperidine
CID 22397525
4-[2-(1,1-difluoroethyl)phenoxy]piperidine
CID 115044136
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932
4-(2-bromo-4-tert-butylphenoxy)piperidine
CID 56830744
4-(2,5-difluorophenoxy)azepane
CID 63905212
3-[4-(2-tert-butyl-4-fluorophenoxy)piperidin-1-yl]-3-oxopropanoic acid
CID 59577276
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine
CID 23102803
4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile
CID 90751429

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-fluorophenoxy)piperidine?
The IUPAC name of 4-(2-tert-butyl-4-fluorophenoxy)piperidine (CID 46941721) is 4-(2-tert-butyl-4-fluorophenoxy)piperidine.
What is the SMILES notation for 4-(2-tert-butyl-4-fluorophenoxy)piperidine?
The canonical SMILES for 4-(2-tert-butyl-4-fluorophenoxy)piperidine is CC(C)(C)c1cc(F)ccc1OC1CCNCC1.
What is the InChIKey of 4-(2-tert-butyl-4-fluorophenoxy)piperidine?
The InChIKey is IBAIAGMMKCNPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,3)13-10-11(16)4-5-14(13)18-12-6-8-17-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3.
What are the key properties of 4-(2-tert-butyl-4-fluorophenoxy)piperidine?
4-(2-tert-butyl-4-fluorophenoxy)piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-fluorophenoxy)piperidine is sourced from PubChem (CID 46941721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).