N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine

C14H29FN2O — CID 114280257

IUPACN-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(CCCCCF)C1
InChIInChI=1S/C14H29FN2O/c1-18-11-8-16-12-14-6-5-10-17(13-14)9-4-2-3-7-15/h14,16H,2-13H2,1H3
InChIKeyVTGODBBZEPZNLG-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.07
Rot. Bonds10

About N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine

N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 114280257) has the molecular formula C14H29FN2O and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine
PubChem CID114280257
Molecular FormulaC14H29FN2O
Molecular Weight260.40 g/mol
Exact Mass260.23
IUPAC NameN-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(CCCCCF)C1
InChIInChI=1S/C14H29FN2O/c1-18-11-8-16-12-14-6-5-10-17(13-14)9-4-2-3-7-15/h14,16H,2-13H2,1H3
InChIKeyVTGODBBZEPZNLG-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.07
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-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine (CID 114280257) is N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCN(CCCCCF)C1.
What is the InChIKey of N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is VTGODBBZEPZNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O/c1-18-11-8-16-12-14-6-5-10-17(13-14)9-4-2-3-7-15/h14,16H,2-13H2,1H3.
What are the key properties of N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 260.40 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114280257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).