1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine

C11H22F2N2O — CID 120980242

IUPAC1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CCOCC(F)F
InChIInChI=1S/C11H22F2N2O/c1-9(14)10-4-2-3-5-15(10)6-7-16-8-11(12)13/h9-11H,2-8,14H2,1H3
InChIKeyALBYNNGUYBNYGE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.47
Rot. Bonds6

About 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine

1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine (PubChem CID 120980242) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine
PubChem CID120980242
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CCOCC(F)F
InChIInChI=1S/C11H22F2N2O/c1-9(14)10-4-2-3-5-15(10)6-7-16-8-11(12)13/h9-11H,2-8,14H2,1H3
InChIKeyALBYNNGUYBNYGE-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
2-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102977708
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
1-[1-[3-(oxolan-2-yl)propyl]piperidin-2-yl]ethanamine
CID 65159449
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
CID 106455021
1-(1-ethylpyrrolidin-2-yl)ethanamine
CID 18672993
1-[1-[(1-methylcyclopropyl)methyl]piperidin-2-yl]ethanamine
CID 130831353
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392
(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
CID 95634837

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine (CID 120980242) is 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1CCOCC(F)F.
What is the InChIKey of 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is ALBYNNGUYBNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-9(14)10-4-2-3-5-15(10)6-7-16-8-11(12)13/h9-11H,2-8,14H2,1H3.
What are the key properties of 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine?
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 120980242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).