[1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine

C8H17FN2O — CID 142337813

IUPAC[1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine
SMILESCOCC1(CN)CCN(F)CC1
InChIInChI=1S/C8H17FN2O/c1-12-7-8(6-10)2-4-11(9)5-3-8/h2-7,10H2,1H3
InChIKeySHCWYKPONXJQNI-UHFFFAOYSA-N
MW176.23 g/mol
LogP0.56
Rot. Bonds3

About [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine

[1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine (PubChem CID 142337813) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine
PubChem CID142337813
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name[1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine
SMILESCOCC1(CN)CCN(F)CC1
InChIInChI=1S/C8H17FN2O/c1-12-7-8(6-10)2-4-11(9)5-3-8/h2-7,10H2,1H3
InChIKeySHCWYKPONXJQNI-UHFFFAOYSA-N
XLogP0.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine (CID 142337813) is [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine is COCC1(CN)CCN(F)CC1.
What is the InChIKey of [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine?
The InChIKey is SHCWYKPONXJQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-12-7-8(6-10)2-4-11(9)5-3-8/h2-7,10H2,1H3.
What are the key properties of [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine?
[1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine has a molecular weight of 176.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-fluoro-4-(methoxymethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 142337813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).