2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine

C16H24F2N2 — CID 114515675

IUPAC2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
SMILESCN1CCC(CCNCC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C16H24F2N2/c1-20-11-8-14(9-12-20)7-10-19-13-16(17,18)15-5-3-2-4-6-15/h2-6,14,19H,7-13H2,1H3
InChIKeyXNSCTKXULMODIO-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.10
Rot. Bonds6

About 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine

2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine (PubChem CID 114515675) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
PubChem CID114515675
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
SMILESCN1CCC(CCNCC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C16H24F2N2/c1-20-11-8-14(9-12-20)7-10-19-13-16(17,18)15-5-3-2-4-6-15/h2-6,14,19H,7-13H2,1H3
InChIKeyXNSCTKXULMODIO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
CID 116789098
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
CID 116788979
N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
CID 116789072
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
N-[[2-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515268
N-[(3-bromophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615071
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine?
The IUPAC name of 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine (CID 114515675) is 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine.
What is the SMILES notation for 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine?
The canonical SMILES for 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine is CN1CCC(CCNCC(F)(F)c2ccccc2)CC1.
What is the InChIKey of 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine?
The InChIKey is XNSCTKXULMODIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-20-11-8-14(9-12-20)7-10-19-13-16(17,18)15-5-3-2-4-6-15/h2-6,14,19H,7-13H2,1H3.
What are the key properties of 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine?
2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-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 2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 114515675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).