N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine

C13H18F2N2 — CID 55248730

IUPACN-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1c(F)cccc1F)C1CCCNC1
InChIInChI=1S/C13H18F2N2/c1-17(10-4-3-7-16-8-10)9-11-12(14)5-2-6-13(11)15/h2,5-6,10,16H,3-4,7-9H2,1H3
InChIKeyQIKUFVILQRHQRE-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.15
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine

N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 55248730) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID55248730
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1c(F)cccc1F)C1CCCNC1
InChIInChI=1S/C13H18F2N2/c1-17(10-4-3-7-16-8-10)9-11-12(14)5-2-6-13(11)15/h2,5-6,10,16H,3-4,7-9H2,1H3
InChIKeyQIKUFVILQRHQRE-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642307
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966582
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 120835424
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
CID 63642494
N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide
CID 119767607
N-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 43317078
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 104974489

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine (CID 55248730) is N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine is CN(Cc1c(F)cccc1F)C1CCCNC1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is QIKUFVILQRHQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(10-4-3-7-16-8-10)9-11-12(14)5-2-6-13(11)15/h2,5-6,10,16H,3-4,7-9H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine?
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 240.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 55248730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).