2,2-difluoro-2-piperidin-4-ylethanamine

C7H14F2N2 — CID 105432407

IUPAC2,2-difluoro-2-piperidin-4-ylethanamine
SMILESNCC(F)(F)C1CCNCC1
InChIInChI=1S/C7H14F2N2/c8-7(9,5-10)6-1-3-11-4-2-6/h6,11H,1-5,10H2
InChIKeyODGWODMMTUNPJD-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.58
Rot. Bonds2

About 2,2-difluoro-2-piperidin-4-ylethanamine

2,2-difluoro-2-piperidin-4-ylethanamine (PubChem CID 105432407) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,2-difluoro-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-piperidin-4-ylethanamine
PubChem CID105432407
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name2,2-difluoro-2-piperidin-4-ylethanamine
SMILESNCC(F)(F)C1CCNCC1
InChIInChI=1S/C7H14F2N2/c8-7(9,5-10)6-1-3-11-4-2-6/h6,11H,1-5,10H2
InChIKeyODGWODMMTUNPJD-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-2-piperidin-4-ylethanol
CID 105432620
piperazine;2,2,2-trifluoroethanamine
CID 171928721
4-[cyclobutyl(difluoro)methyl]piperidine
CID 105443676
4-(1,1-difluoroethyl)piperidine;hydrochloride
CID 84718975
4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride
CID 115058491
3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
CID 115058342
2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride
CID 69457238
2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
3-(1,1-difluoro-3-methylbutyl)pyrrolidine
CID 105436998
2-amino-3,3-difluoro-3-piperidin-4-ylpropanoic acid
CID 105461470
4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol
CID 127016501
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-piperidin-4-ylethanamine?
The IUPAC name of 2,2-difluoro-2-piperidin-4-ylethanamine (CID 105432407) is 2,2-difluoro-2-piperidin-4-ylethanamine.
What is the SMILES notation for 2,2-difluoro-2-piperidin-4-ylethanamine?
The canonical SMILES for 2,2-difluoro-2-piperidin-4-ylethanamine is NCC(F)(F)C1CCNCC1.
What is the InChIKey of 2,2-difluoro-2-piperidin-4-ylethanamine?
The InChIKey is ODGWODMMTUNPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c8-7(9,5-10)6-1-3-11-4-2-6/h6,11H,1-5,10H2.
What are the key properties of 2,2-difluoro-2-piperidin-4-ylethanamine?
2,2-difluoro-2-piperidin-4-ylethanamine has a molecular weight of 164.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-piperidin-4-ylethanamine is sourced from PubChem (CID 105432407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).