2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline

C13H18F2N2 — CID 82818461

IUPAC2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline
SMILESCc1ccc(F)c(NCC2CCCNC2)c1F
InChIInChI=1S/C13H18F2N2/c1-9-4-5-11(14)13(12(9)15)17-8-10-3-2-6-16-7-10/h4-5,10,16-17H,2-3,6-8H2,1H3
InChIKeyJJKNOTXACDIIKZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.68
Rot. Bonds3

About 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline

2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline (PubChem CID 82818461) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline
PubChem CID82818461
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline
SMILESCc1ccc(F)c(NCC2CCCNC2)c1F
InChIInChI=1S/C13H18F2N2/c1-9-4-5-11(14)13(12(9)15)17-8-10-3-2-6-16-7-10/h4-5,10,16-17H,2-3,6-8H2,1H3
InChIKeyJJKNOTXACDIIKZ-UHFFFAOYSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-2,6-difluoro-3-methylaniline
CID 104575271
2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline
CID 103584964
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-chloro-4-fluoro-5-methyl-N-(piperidin-3-ylmethyl)aniline
CID 112734596
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline
CID 82086323
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
N-[(3,3-difluorocyclopentyl)methyl]-2,6-difluoro-3-methylaniline
CID 114223899
1-(2,6-difluoro-3-methylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562387
4-methyl-3-(piperidin-3-ylmethylamino)benzonitrile
CID 80555575
2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline
CID 80563716
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
N-(1,3-dioxan-4-ylmethyl)-2,6-difluoro-3-methylaniline
CID 82818649

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline (CID 82818461) is 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline is Cc1ccc(F)c(NCC2CCCNC2)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is JJKNOTXACDIIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9-4-5-11(14)13(12(9)15)17-8-10-3-2-6-16-7-10/h4-5,10,16-17H,2-3,6-8H2,1H3.
What are the key properties of 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline?
2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 240.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 82818461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).