5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine

C10H18FNO — CID 131123575

IUPAC5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine
SMILESC=C(COC)C1(F)CCC(C)NC1
InChIInChI=1S/C10H18FNO/c1-8(6-13-3)10(11)5-4-9(2)12-7-10/h9,12H,1,4-7H2,2-3H3
InChIKeyITTJYRHTWGEVRO-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.67
Rot. Bonds3

About 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine

5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine (PubChem CID 131123575) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine.

Molecular Properties

Compound Name5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine
PubChem CID131123575
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine
SMILESC=C(COC)C1(F)CCC(C)NC1
InChIInChI=1S/C10H18FNO/c1-8(6-13-3)10(11)5-4-9(2)12-7-10/h9,12H,1,4-7H2,2-3H3
InChIKeyITTJYRHTWGEVRO-UHFFFAOYSA-N
XLogP1.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine?
The IUPAC name of 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine (CID 131123575) is 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine.
What is the SMILES notation for 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine?
The canonical SMILES for 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine is C=C(COC)C1(F)CCC(C)NC1.
What is the InChIKey of 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine?
The InChIKey is ITTJYRHTWGEVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(6-13-3)10(11)5-4-9(2)12-7-10/h9,12H,1,4-7H2,2-3H3.
What are the key properties of 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine?
5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine has a molecular weight of 187.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine is sourced from PubChem (CID 131123575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).