4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline

C13H18F2N2 — CID 116991205

IUPAC4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
SMILESCNc1ccc(CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C13H18F2N2/c1-16-12-4-2-11(3-5-12)10-17-8-6-13(14,15)7-9-17/h2-5,16H,6-10H2,1H3
InChIKeyQMIIIRLPIXTRIN-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.96
Rot. Bonds3

About 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline

4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline (PubChem CID 116991205) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
PubChem CID116991205
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
SMILESCNc1ccc(CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C13H18F2N2/c1-16-12-4-2-11(3-5-12)10-17-8-6-13(14,15)7-9-17/h2-5,16H,6-10H2,1H3
InChIKeyQMIIIRLPIXTRIN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
CID 143579558
[4-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]boronic acid
CID 175501708
(2R)-2-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]propanoic acid
CID 99952667
N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018
1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113283047
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine
CID 86686688
tert-butyl 2-[4-[[4-(methylamino)phenyl]methyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 134831321

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline?
The IUPAC name of 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline (CID 116991205) is 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline is CNc1ccc(CN2CCC(F)(F)CC2)cc1.
What is the InChIKey of 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline?
The InChIKey is QMIIIRLPIXTRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-16-12-4-2-11(3-5-12)10-17-8-6-13(14,15)7-9-17/h2-5,16H,6-10H2,1H3.
What are the key properties of 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline?
4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline has a molecular weight of 240.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline is sourced from PubChem (CID 116991205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).