2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine

C9H18F2N2 — CID 115407412

IUPAC2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine
SMILESFC(F)CNCCC1CCNCC1
InChIInChI=1S/C9H18F2N2/c10-9(11)7-13-6-3-8-1-4-12-5-2-8/h8-9,12-13H,1-7H2
InChIKeyXROQCLXAQDOGBI-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.23
Rot. Bonds5

About 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine

2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine (PubChem CID 115407412) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine
PubChem CID115407412
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine
SMILESFC(F)CNCCC1CCNCC1
InChIInChI=1S/C9H18F2N2/c10-9(11)7-13-6-3-8-1-4-12-5-2-8/h8-9,12-13H,1-7H2
InChIKeyXROQCLXAQDOGBI-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
CID 115407510
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2-difluoroethanamine
CID 115407013
N-(2-piperidin-4-ylethyl)cyclopropanamine
CID 16640897
2,2-dimethyl-N-(2-piperidin-4-ylethyl)pentan-1-amine
CID 115211733
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628849
N-(2-piperidin-4-ylethyl)aniline
CID 4778278
2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63825914
N-(2-piperidin-4-ylethyl)cyclohexanamine
CID 61150995
1-ethyl-3-(2-piperidin-4-ylethyl)urea
CID 60903315
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
N-(2,2-difluoroethyl)azepan-4-amine
CID 84656479
4-(2,2,3,3-tetrafluoropropyl)piperidine
CID 130870167

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine (CID 115407412) is 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine is FC(F)CNCCC1CCNCC1.
What is the InChIKey of 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine?
The InChIKey is XROQCLXAQDOGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c10-9(11)7-13-6-3-8-1-4-12-5-2-8/h8-9,12-13H,1-7H2.
What are the key properties of 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine?
2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine has a molecular weight of 192.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine is sourced from PubChem (CID 115407412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).