1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine

C11H22F2N2 — CID 63855151

IUPAC1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(CC(F)F)C1
InChIInChI=1S/C11H22F2N2/c1-3-14-9(2)10-5-4-6-15(7-10)8-11(12)13/h9-11,14H,3-8H2,1-2H3
InChIKeyMYIBWOVPJAJGAF-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.96
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine

1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine (PubChem CID 63855151) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
PubChem CID63855151
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(CC(F)F)C1
InChIInChI=1S/C11H22F2N2/c1-3-14-9(2)10-5-4-6-15(7-10)8-11(12)13/h9-11,14H,3-8H2,1-2H3
InChIKeyMYIBWOVPJAJGAF-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine
CID 63854629
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
N-ethyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]ethanamine
CID 65159249
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine (CID 63855151) is 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine is CCNC(C)C1CCCN(CC(F)F)C1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine?
The InChIKey is MYIBWOVPJAJGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-3-14-9(2)10-5-4-6-15(7-10)8-11(12)13/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine?
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine has a molecular weight of 220.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine is sourced from PubChem (CID 63855151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).