2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine

C13H17F2N — CID 105409335

IUPAC2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
SMILESCC1CCNC(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2N/c1-9-2-3-16-13(4-9)7-10-5-11(14)8-12(15)6-10/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyCBSNHBVFEPCNHK-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds2

About 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine

2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine (PubChem CID 105409335) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
PubChem CID105409335
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
SMILESCC1CCNC(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2N/c1-9-2-3-16-13(4-9)7-10-5-11(14)8-12(15)6-10/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyCBSNHBVFEPCNHK-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine (CID 105409335) is 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine is CC1CCNC(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine?
The InChIKey is CBSNHBVFEPCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-2-3-16-13(4-9)7-10-5-11(14)8-12(15)6-10/h5-6,8-9,13,16H,2-4,7H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine?
2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine has a molecular weight of 225.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 105409335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).