1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine

C13H18F2N2 — CID 116951278

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
SMILESCNC(c1ccc(F)cc1F)C1CCCNC1
InChIInChI=1S/C13H18F2N2/c1-16-13(9-3-2-6-17-8-9)11-5-4-10(14)7-12(11)15/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3
InChIKeyBOARFNQJORJOJG-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.22
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine

1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 116951278) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID116951278
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
SMILESCNC(c1ccc(F)cc1F)C1CCCNC1
InChIInChI=1S/C13H18F2N2/c1-16-13(9-3-2-6-17-8-9)11-5-4-10(14)7-12(11)15/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3
InChIKeyBOARFNQJORJOJG-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 87327108
1-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 65411306
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957014
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957084
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105143702
1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951266
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906841
1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80553557
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine (CID 116951278) is 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine is CNC(c1ccc(F)cc1F)C1CCCNC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is BOARFNQJORJOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-16-13(9-3-2-6-17-8-9)11-5-4-10(14)7-12(11)15/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine?
1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 240.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 116951278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).