2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine

C11H22F2N2 — CID 84685954

IUPAC2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine
SMILESCC(F)(F)CCN1CCCCC1CCN
InChIInChI=1S/C11H22F2N2/c1-11(12,13)6-9-15-8-3-2-4-10(15)5-7-14/h10H,2-9,14H2,1H3
InChIKeyJFGMKSYDLBZEHJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.23
Rot. Bonds5

About 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine

2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine (PubChem CID 84685954) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine
PubChem CID84685954
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine
SMILESCC(F)(F)CCN1CCCCC1CCN
InChIInChI=1S/C11H22F2N2/c1-11(12,13)6-9-15-8-3-2-4-10(15)5-7-14/h10H,2-9,14H2,1H3
InChIKeyJFGMKSYDLBZEHJ-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,3-difluorobutyl)azepan-2-yl]ethanamine
CID 84697916
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
CID 80695108
2-[1-(2,2-difluoropropyl)pyrrolidin-2-yl]ethanamine
CID 84664108
2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile
CID 84681793
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
CID 63760471
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
CID 106455021
2-(1-tert-butylazepan-2-yl)ethanamine
CID 84668474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine (CID 84685954) is 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine is CC(F)(F)CCN1CCCCC1CCN.
What is the InChIKey of 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine?
The InChIKey is JFGMKSYDLBZEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-11(12,13)6-9-15-8-3-2-4-10(15)5-7-14/h10H,2-9,14H2,1H3.
What are the key properties of 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine?
2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine has a molecular weight of 220.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 84685954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).