2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline

C13H18F2N2 — CID 103584964

IUPAC2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline
SMILESCc1cc(F)c(NCC2CCCNC2)cc1F
InChIInChI=1S/C13H18F2N2/c1-9-5-12(15)13(6-11(9)14)17-8-10-3-2-4-16-7-10/h5-6,10,16-17H,2-4,7-8H2,1H3
InChIKeyUPPOLKDWLXBUKR-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.68
Rot. Bonds3

About 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline

2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline (PubChem CID 103584964) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline
PubChem CID103584964
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline
SMILESCc1cc(F)c(NCC2CCCNC2)cc1F
InChIInChI=1S/C13H18F2N2/c1-9-5-12(15)13(6-11(9)14)17-8-10-3-2-4-16-7-10/h5-6,10,16-17H,2-4,7-8H2,1H3
InChIKeyUPPOLKDWLXBUKR-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

2-chloro-4-fluoro-5-methyl-N-(piperidin-3-ylmethyl)aniline
CID 112734596
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
CID 103584848
2,4-difluoro-5-nitro-N-(piperidin-3-ylmethyl)aniline
CID 80554250
2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline
CID 82818461
2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline
CID 103584772
7-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115209510
4-methyl-3-(piperidin-3-ylmethylamino)benzonitrile
CID 80555575
2-fluoro-5-nitro-N-(piperidin-3-ylmethyl)aniline
CID 80554125
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
CID 115209530
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline (CID 103584964) is 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline is Cc1cc(F)c(NCC2CCCNC2)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is UPPOLKDWLXBUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9-5-12(15)13(6-11(9)14)17-8-10-3-2-4-16-7-10/h5-6,10,16-17H,2-4,7-8H2,1H3.
What are the key properties of 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline?
2,5-difluoro-4-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 2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 103584964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).