2-(3-fluoro-4-propan-2-ylphenyl)piperidine

C14H20FN — CID 84788156

IUPAC2-(3-fluoro-4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2CCCCN2)cc1F
InChIInChI=1S/C14H20FN/c1-10(2)12-7-6-11(9-13(12)15)14-5-3-4-8-16-14/h6-7,9-10,14,16H,3-5,8H2,1-2H3
InChIKeyYPWXSRRLPKCKCX-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.76
Rot. Bonds2

About 2-(3-fluoro-4-propan-2-ylphenyl)piperidine

2-(3-fluoro-4-propan-2-ylphenyl)piperidine (PubChem CID 84788156) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-fluoro-4-propan-2-ylphenyl)piperidine
PubChem CID84788156
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-(3-fluoro-4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2CCCCN2)cc1F
InChIInChI=1S/C14H20FN/c1-10(2)12-7-6-11(9-13(12)15)14-5-3-4-8-16-14/h6-7,9-10,14,16H,3-5,8H2,1-2H3
InChIKeyYPWXSRRLPKCKCX-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-4-propan-2-yloxyphenyl)piperidine
CID 82291972
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
CID 117483845
(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
CID 66518805
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 117316900
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
2-(3-bromo-4-pentan-3-ylphenyl)piperidine
CID 117495247
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-propan-2-ylphenyl)piperidine?
The IUPAC name of 2-(3-fluoro-4-propan-2-ylphenyl)piperidine (CID 84788156) is 2-(3-fluoro-4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 2-(3-fluoro-4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 2-(3-fluoro-4-propan-2-ylphenyl)piperidine is CC(C)c1ccc(C2CCCCN2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-propan-2-ylphenyl)piperidine?
The InChIKey is YPWXSRRLPKCKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)12-7-6-11(9-13(12)15)14-5-3-4-8-16-14/h6-7,9-10,14,16H,3-5,8H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-propan-2-ylphenyl)piperidine?
2-(3-fluoro-4-propan-2-ylphenyl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 84788156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).