4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine

C13H17FN4O — CID 169325791

IUPAC4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine
SMILESCN1CCC(COc2cccc(F)c2N=[N+]=[N-])CC1
InChIInChI=1S/C13H17FN4O/c1-18-7-5-10(6-8-18)9-19-12-4-2-3-11(14)13(12)16-17-15/h2-4,10H,5-9H2,1H3
InChIKeyWLPKMRRGUWRAOR-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.49
Rot. Bonds4

About 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine

4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine (PubChem CID 169325791) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine
PubChem CID169325791
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine
SMILESCN1CCC(COc2cccc(F)c2N=[N+]=[N-])CC1
InChIInChI=1S/C13H17FN4O/c1-18-7-5-10(6-8-18)9-19-12-4-2-3-11(14)13(12)16-17-15/h2-4,10H,5-9H2,1H3
InChIKeyWLPKMRRGUWRAOR-UHFFFAOYSA-N
XLogP3.49
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[(3-fluoro-2-isocyanatophenoxy)methyl]-1-methylpiperidine
CID 169354346
4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine
CID 91255595
4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine
CID 146589278
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655067
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157
2-[3-fluoro-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]isoindole-1,3-dione
CID 168517990
3-[(2-tert-butylphenoxy)methyl]-1-methylpyrrolidine
CID 143793227
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 112606713
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
CID 19002688
[3-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]thiourea
CID 169358061

Frequently Asked Questions

What is the IUPAC name of 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine?
The IUPAC name of 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine (CID 169325791) is 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine?
The canonical SMILES for 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine is CN1CCC(COc2cccc(F)c2N=[N+]=[N-])CC1.
What is the InChIKey of 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine?
The InChIKey is WLPKMRRGUWRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-18-7-5-10(6-8-18)9-19-12-4-2-3-11(14)13(12)16-17-15/h2-4,10H,5-9H2,1H3.
What are the key properties of 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine?
4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine has a molecular weight of 264.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine is sourced from PubChem (CID 169325791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).