1-(3-fluoro-4-propan-2-ylphenyl)piperidine

C14H20FN — CID 167149955

IUPAC1-(3-fluoro-4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(N2CCCCC2)cc1F
InChIInChI=1S/C14H20FN/c1-11(2)13-7-6-12(10-14(13)15)16-8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyMDUQTBUGFIMSAI-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.94
Rot. Bonds2

About 1-(3-fluoro-4-propan-2-ylphenyl)piperidine

1-(3-fluoro-4-propan-2-ylphenyl)piperidine (PubChem CID 167149955) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-ylphenyl)piperidine
PubChem CID167149955
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(3-fluoro-4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(N2CCCCC2)cc1F
InChIInChI=1S/C14H20FN/c1-11(2)13-7-6-12(10-14(13)15)16-8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyMDUQTBUGFIMSAI-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-phenylphenyl)piperidine
CID 126496888
4-piperidin-1-yl-2-propan-2-ylbenzonitrile
CID 84692085
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067
1-[4-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorophenyl]-4-methylpiperazine;1-[4-(3,3-dimethylbutan-2-yl)-3-fluorophenyl]-4-methylpiperazine;1-[4-[(2S)-3,3-dimethylbutan-2-yl]phenyl]-4-methylpiperazine;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-methylpiperazine;1-[4-(3,3-dimethylbutan-2-yl)phenyl]piperidine
CID 160546934
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium
CID 159762366
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-fluoro-3-iodophenyl)pyrrolidine
CID 168512931
(5E)-5-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200336
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
1-(3,4,5-trifluorophenyl)pyrrolidine
CID 67937065

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-ylphenyl)piperidine?
The IUPAC name of 1-(3-fluoro-4-propan-2-ylphenyl)piperidine (CID 167149955) is 1-(3-fluoro-4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 1-(3-fluoro-4-propan-2-ylphenyl)piperidine is CC(C)c1ccc(N2CCCCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-propan-2-ylphenyl)piperidine?
The InChIKey is MDUQTBUGFIMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11(2)13-7-6-12(10-14(13)15)16-8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-propan-2-ylphenyl)piperidine?
1-(3-fluoro-4-propan-2-ylphenyl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 167149955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).