2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline

C13H18F2N2 — CID 115209874

IUPAC2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCN(CC1CCNCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2/c1-17(9-10-4-6-16-7-5-10)13-8-11(14)2-3-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyUBYFWDPAAPJMHT-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.40
Rot. Bonds3

About 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline

2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline (PubChem CID 115209874) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
PubChem CID115209874
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCN(CC1CCNCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2/c1-17(9-10-4-6-16-7-5-10)13-8-11(14)2-3-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyUBYFWDPAAPJMHT-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-difluoro-N-methylanilino)methyl]cyclohexan-1-one
CID 115240084
3-fluoro-4-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79719509
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906884
5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716523
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
5-fluoro-4-iodo-N-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79719375
4-bromo-5-fluoro-N-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79719439
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline (CID 115209874) is 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline is CN(CC1CCNCC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is UBYFWDPAAPJMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(9-10-4-6-16-7-5-10)13-8-11(14)2-3-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3.
What are the key properties of 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline?
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 240.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 115209874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).