N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine

C13H27FN2O — CID 155739455

IUPACN-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine
SMILESCC(C)CN1CCC(COCCCNF)CC1
InChIInChI=1S/C13H27FN2O/c1-12(2)10-16-7-4-13(5-8-16)11-17-9-3-6-15-14/h12-13,15H,3-11H2,1-2H3
InChIKeyMHATVVWAMPCRJW-UHFFFAOYSA-N
MW246.37 g/mol
LogP2.24
Rot. Bonds8

About N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine

N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine (PubChem CID 155739455) has the molecular formula C13H27FN2O and a molecular weight of 246.37 g/mol. Its IUPAC name is N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine.

Molecular Properties

Compound NameN-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine
PubChem CID155739455
Molecular FormulaC13H27FN2O
Molecular Weight246.37 g/mol
Exact Mass246.21
IUPAC NameN-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine
SMILESCC(C)CN1CCC(COCCCNF)CC1
InChIInChI=1S/C13H27FN2O/c1-12(2)10-16-7-4-13(5-8-16)11-17-9-3-6-15-14/h12-13,15H,3-11H2,1-2H3
InChIKeyMHATVVWAMPCRJW-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine?
The IUPAC name of N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine (CID 155739455) is N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine.
What is the SMILES notation for N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine?
The canonical SMILES for N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine is CC(C)CN1CCC(COCCCNF)CC1.
What is the InChIKey of N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine?
The InChIKey is MHATVVWAMPCRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O/c1-12(2)10-16-7-4-13(5-8-16)11-17-9-3-6-15-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine?
N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine has a molecular weight of 246.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine is sourced from PubChem (CID 155739455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).