N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine

C11H22F2N2O — CID 62581301

IUPACN-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCCN1CC(F)F
InChIInChI=1S/C11H22F2N2O/c1-16-7-5-14-8-10-4-2-3-6-15(10)9-11(12)13/h10-11,14H,2-9H2,1H3
InChIKeyNZWQLDITWHUZTB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.34
Rot. Bonds7

About N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine

N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 62581301) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID62581301
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC NameN-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCCN1CC(F)F
InChIInChI=1S/C11H22F2N2O/c1-16-7-5-14-8-10-4-2-3-6-15(10)9-11(12)13/h10-11,14H,2-9H2,1H3
InChIKeyNZWQLDITWHUZTB-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine (CID 62581301) is N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCCN1CC(F)F.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is NZWQLDITWHUZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-16-7-5-14-8-10-4-2-3-6-15(10)9-11(12)13/h10-11,14H,2-9H2,1H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62581301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).