2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine

C14H20FN — CID 84724881

IUPAC2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
SMILESCc1ccccc1C(C)(F)C1CCCCN1
InChIInChI=1S/C14H20FN/c1-11-7-3-4-8-12(11)14(2,15)13-9-5-6-10-16-13/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3
InChIKeyUASBJECIXORRAE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.32
Rot. Bonds2

About 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine

2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine (PubChem CID 84724881) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
PubChem CID84724881
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
SMILESCc1ccccc1C(C)(F)C1CCCCN1
InChIInChI=1S/C14H20FN/c1-11-7-3-4-8-12(11)14(2,15)13-9-5-6-10-16-13/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3
InChIKeyUASBJECIXORRAE-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853698
2-[2-(2-fluorophenyl)propan-2-yl]pyrrolidine
CID 83909049
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501
2-[difluoro(phenyl)methyl]azepane
CID 105483060
2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
CID 116839210
2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
CID 84730136
2-(2-methyl-1-phenylpropan-2-yl)pyrrolidine
CID 83908576
2-(1-cyclopentyl-1-fluoroethyl)piperidine
CID 105452461
2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832814
2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine
CID 116839033
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine?
The IUPAC name of 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine (CID 84724881) is 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine.
What is the SMILES notation for 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine?
The canonical SMILES for 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine is Cc1ccccc1C(C)(F)C1CCCCN1.
What is the InChIKey of 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine?
The InChIKey is UASBJECIXORRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-7-3-4-8-12(11)14(2,15)13-9-5-6-10-16-13/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3.
What are the key properties of 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine?
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 84724881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).