4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine

C13H17F2N — CID 107514264

IUPAC4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
SMILESCc1ccc(C2CCNCC2C)c(F)c1F
InChIInChI=1S/C13H17F2N/c1-8-3-4-11(13(15)12(8)14)10-5-6-16-7-9(10)2/h3-4,9-10,16H,5-7H2,1-2H3
InChIKeyWEAHAGFHRKOTIO-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.99
Rot. Bonds1

About 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine

4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine (PubChem CID 107514264) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
PubChem CID107514264
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
SMILESCc1ccc(C2CCNCC2C)c(F)c1F
InChIInChI=1S/C13H17F2N/c1-8-3-4-11(13(15)12(8)14)10-5-6-16-7-9(10)2/h3-4,9-10,16H,5-7H2,1-2H3
InChIKeyWEAHAGFHRKOTIO-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
4-(4-chloro-2-methylphenyl)-3-methylpiperidine
CID 69230633
4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
CID 69230632
(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69231558
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699
3-(2,5-dimethylphenyl)-4-methylpiperidine
CID 66273596
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
CID 130874669
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495554
3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride
CID 22495693

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine?
The IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine (CID 107514264) is 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine.
What is the SMILES notation for 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine?
The canonical SMILES for 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine is Cc1ccc(C2CCNCC2C)c(F)c1F.
What is the InChIKey of 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine?
The InChIKey is WEAHAGFHRKOTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8-3-4-11(13(15)12(8)14)10-5-6-16-7-9(10)2/h3-4,9-10,16H,5-7H2,1-2H3.
What are the key properties of 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine?
4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine has a molecular weight of 225.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine is sourced from PubChem (CID 107514264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).