5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine

C14H20FN — CID 104823498

IUPAC5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine
SMILESCc1ccc(F)c(CC2CCC(C)NC2)c1
InChIInChI=1S/C14H20FN/c1-10-3-6-14(15)13(7-10)8-12-5-4-11(2)16-9-12/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3
InChIKeyAXODUNZLBHQJDU-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.06
Rot. Bonds2

About 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine

5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine (PubChem CID 104823498) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine
PubChem CID104823498
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine
SMILESCc1ccc(F)c(CC2CCC(C)NC2)c1
InChIInChI=1S/C14H20FN/c1-10-3-6-14(15)13(7-10)8-12-5-4-11(2)16-9-12/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3
InChIKeyAXODUNZLBHQJDU-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine
CID 104823476
(2S,5R)-5-benzyl-2-methylpiperidine
CID 130765176
2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine
CID 104823558
1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
CID 83811097
2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 63009066
3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 113237530
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
2-methoxy-5-methyl-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63009230
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine
CID 106780199
2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 104823542
2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene
CID 158363835

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine?
The IUPAC name of 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine (CID 104823498) is 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine.
What is the SMILES notation for 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine?
The canonical SMILES for 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine is Cc1ccc(F)c(CC2CCC(C)NC2)c1.
What is the InChIKey of 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine?
The InChIKey is AXODUNZLBHQJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-3-6-14(15)13(7-10)8-12-5-4-11(2)16-9-12/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3.
What are the key properties of 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine?
5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine has a molecular weight of 221.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-5-methylphenyl)methyl]-2-methylpiperidine is sourced from PubChem (CID 104823498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).