3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine

C14H20FNO — CID 115042136

IUPAC3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
SMILESCC(C)(F)c1cccc(OC2CCCNC2)c1
InChIInChI=1S/C14H20FNO/c1-14(2,15)11-5-3-6-12(9-11)17-13-7-4-8-16-10-13/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3
InChIKeyXYELILSERURQQB-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.02
Rot. Bonds3

About 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine

3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine (PubChem CID 115042136) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine.

Molecular Properties

Compound Name3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
PubChem CID115042136
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
SMILESCC(C)(F)c1cccc(OC2CCCNC2)c1
InChIInChI=1S/C14H20FNO/c1-14(2,15)11-5-3-6-12(9-11)17-13-7-4-8-16-10-13/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3
InChIKeyXYELILSERURQQB-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
CID 114523641
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406
(3R)-3-phenoxypiperidine
CID 42553363
3-piperidin-3-yloxybenzonitrile
CID 22309128
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
3-(4-tert-butylphenoxy)piperidine;molecular hydrogen
CID 144656061
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
CID 56831129
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
3-pyrrolidin-3-yloxyphenol
CID 83482218
(3R)-3-(3,5-difluorophenoxy)piperidine
CID 94586724

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine?
The IUPAC name of 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine (CID 115042136) is 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine.
What is the SMILES notation for 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine?
The canonical SMILES for 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine is CC(C)(F)c1cccc(OC2CCCNC2)c1.
What is the InChIKey of 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine?
The InChIKey is XYELILSERURQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,15)11-5-3-6-12(9-11)17-13-7-4-8-16-10-13/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3.
What are the key properties of 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine?
3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine has a molecular weight of 237.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine is sourced from PubChem (CID 115042136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).