4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine

C14H20FN — CID 84724888

IUPAC4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
SMILESCc1cccc(C(C)(F)C2CCNCC2)c1
InChIInChI=1S/C14H20FN/c1-11-4-3-5-13(10-11)14(2,15)12-6-8-16-9-7-12/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyRDYRVLWWPOOBGN-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.18
Rot. Bonds2

About 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine

4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine (PubChem CID 84724888) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
PubChem CID84724888
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
SMILESCc1cccc(C(C)(F)C2CCNCC2)c1
InChIInChI=1S/C14H20FN/c1-11-4-3-5-13(10-11)14(2,15)12-6-8-16-9-7-12/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyRDYRVLWWPOOBGN-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine
CID 84724889
4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene
CID 174852031
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
CID 115033504
3-(1-cyclopentyl-1-fluoroethyl)aniline
CID 115025375
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
CID 116838786
2-[1-(azepan-4-yl)-1-fluoroethyl]phenol
CID 84727540
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
CID 114523641
1-phenyl-1-piperidin-4-ylethanol
CID 54545036

Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine?
The IUPAC name of 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine (CID 84724888) is 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine is Cc1cccc(C(C)(F)C2CCNCC2)c1.
What is the InChIKey of 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine?
The InChIKey is RDYRVLWWPOOBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-4-3-5-13(10-11)14(2,15)12-6-8-16-9-7-12/h3-5,10,12,16H,6-9H2,1-2H3.
What are the key properties of 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine?
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 84724888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).