4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine

C13H17F2N — CID 117323666

IUPAC4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine
SMILESCc1cc(F)c(F)c(CC2CCNCC2)c1
InChIInChI=1S/C13H17F2N/c1-9-6-11(13(15)12(14)7-9)8-10-2-4-16-5-3-10/h6-7,10,16H,2-5,8H2,1H3
InChIKeyMPVCDIWRMIKKCT-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.82
Rot. Bonds2

About 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine

4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine (PubChem CID 117323666) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine
PubChem CID117323666
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine
SMILESCc1cc(F)c(F)c(CC2CCNCC2)c1
InChIInChI=1S/C13H17F2N/c1-9-6-11(13(15)12(14)7-9)8-10-2-4-16-5-3-10/h6-7,10,16H,2-5,8H2,1H3
InChIKeyMPVCDIWRMIKKCT-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
CID 117117923
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
4-fluoro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 117320386
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]methyl]piperidine
CID 117455594
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
CID 84815999

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine (CID 117323666) is 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine is Cc1cc(F)c(F)c(CC2CCNCC2)c1.
What is the InChIKey of 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine?
The InChIKey is MPVCDIWRMIKKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-6-11(13(15)12(14)7-9)8-10-2-4-16-5-3-10/h6-7,10,16H,2-5,8H2,1H3.
What are the key properties of 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine?
4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine has a molecular weight of 225.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine is sourced from PubChem (CID 117323666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).