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

C14H20FN — CID 84687033

IUPAC2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
SMILESCC(C)(F)c1cccc(C2CCCCN2)c1
InChIInChI=1S/C14H20FN/c1-14(2,15)12-7-5-6-11(10-12)13-8-3-4-9-16-13/h5-7,10,13,16H,3-4,8-9H2,1-2H3
InChIKeyRUFKEWCQGVBRBH-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.71
Rot. Bonds2

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

2-[3-(2-fluoropropan-2-yl)phenyl]piperidine (PubChem CID 84687033) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine.

Molecular Properties

Compound Name2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
PubChem CID84687033
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
SMILESCC(C)(F)c1cccc(C2CCCCN2)c1
InChIInChI=1S/C14H20FN/c1-14(2,15)12-7-5-6-11(10-12)13-8-3-4-9-16-13/h5-7,10,13,16H,3-4,8-9H2,1-2H3
InChIKeyRUFKEWCQGVBRBH-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
CID 116992771
2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine
CID 84689852
(2R)-2-(3-methylphenyl)azepane
CID 7048257
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
2-(4-tert-butylphenyl)piperidine
CID 4137790
2-(3-methylsulfonylphenyl)azepane
CID 62544544
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431747
(2S)-2-phenylpiperidine
CID 10997356
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine?
The IUPAC name of 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine (CID 84687033) is 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine.
What is the SMILES notation for 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine?
The canonical SMILES for 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine is CC(C)(F)c1cccc(C2CCCCN2)c1.
What is the InChIKey of 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine?
The InChIKey is RUFKEWCQGVBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(2,15)12-7-5-6-11(10-12)13-8-3-4-9-16-13/h5-7,10,13,16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine?
2-[3-(2-fluoropropan-2-yl)phenyl]piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoropropan-2-yl)phenyl]piperidine is sourced from PubChem (CID 84687033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).