3-fluoro-3-(2-methylphenyl)piperidine

C12H16FN — CID 83818332

IUPAC3-fluoro-3-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1(F)CCCNC1
InChIInChI=1S/C12H16FN/c1-10-5-2-3-6-11(10)12(13)7-4-8-14-9-12/h2-3,5-6,14H,4,7-9H2,1H3
InChIKeyGVXSMEGNLGXHAX-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.54
Rot. Bonds1

About 3-fluoro-3-(2-methylphenyl)piperidine

3-fluoro-3-(2-methylphenyl)piperidine (PubChem CID 83818332) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylphenyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylphenyl)piperidine
PubChem CID83818332
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-fluoro-3-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1(F)CCCNC1
InChIInChI=1S/C12H16FN/c1-10-5-2-3-6-11(10)12(13)7-4-8-14-9-12/h2-3,5-6,14H,4,7-9H2,1H3
InChIKeyGVXSMEGNLGXHAX-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
CID 98774589
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
CID 112562991
2-(3-fluoropyrrolidin-3-yl)aniline
CID 105438750
4-(3-fluoropiperidin-3-yl)-1H-indole
CID 112563033
3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride
CID 115048909
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082
1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
CID 84723182
3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine
CID 106763885
4-(2-methylphenyl)piperidin-4-amine
CID 70261882
3-(3-fluoropiperidin-3-yl)quinoline
CID 112562920
3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine
CID 112565649

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylphenyl)piperidine?
The IUPAC name of 3-fluoro-3-(2-methylphenyl)piperidine (CID 83818332) is 3-fluoro-3-(2-methylphenyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(2-methylphenyl)piperidine?
The canonical SMILES for 3-fluoro-3-(2-methylphenyl)piperidine is Cc1ccccc1C1(F)CCCNC1.
What is the InChIKey of 3-fluoro-3-(2-methylphenyl)piperidine?
The InChIKey is GVXSMEGNLGXHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-10-5-2-3-6-11(10)12(13)7-4-8-14-9-12/h2-3,5-6,14H,4,7-9H2,1H3.
What are the key properties of 3-fluoro-3-(2-methylphenyl)piperidine?
3-fluoro-3-(2-methylphenyl)piperidine has a molecular weight of 193.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylphenyl)piperidine is sourced from PubChem (CID 83818332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).