N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine

C16H24F2N2 — CID 116788979

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
SMILESCCN1CCC(CNCC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C16H24F2N2/c1-2-20-10-8-14(9-11-20)12-19-13-16(17,18)15-6-4-3-5-7-15/h3-7,14,19H,2,8-13H2,1H3
InChIKeyWGLCIZVGAICSJW-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.10
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine

N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine (PubChem CID 116788979) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
PubChem CID116788979
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
SMILESCCN1CCC(CNCC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C16H24F2N2/c1-2-20-10-8-14(9-11-20)12-19-13-16(17,18)15-6-4-3-5-7-15/h3-7,14,19H,2,8-13H2,1H3
InChIKeyWGLCIZVGAICSJW-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
CID 114515675
2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166921
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
CID 66444793
1-(1-ethylpiperidin-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 112650123
2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
CID 116789098
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790557
N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
CID 102940753
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine (CID 116788979) is N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine is CCN1CCC(CNCC(F)(F)c2ccccc2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine?
The InChIKey is WGLCIZVGAICSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-2-20-10-8-14(9-11-20)12-19-13-16(17,18)15-6-4-3-5-7-15/h3-7,14,19H,2,8-13H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine?
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine is sourced from PubChem (CID 116788979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).