1-(3-fluoropropyl)-3-methoxypiperidine

C9H18FNO — CID 59667673

IUPAC1-(3-fluoropropyl)-3-methoxypiperidine
SMILESCOC1CCCN(CCCF)C1
InChIInChI=1S/C9H18FNO/c1-12-9-4-2-6-11(8-9)7-3-5-10/h9H,2-8H2,1H3
InChIKeyTTYICQFHNJHIFB-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds4

About 1-(3-fluoropropyl)-3-methoxypiperidine

1-(3-fluoropropyl)-3-methoxypiperidine (PubChem CID 59667673) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methoxypiperidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methoxypiperidine
PubChem CID59667673
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-fluoropropyl)-3-methoxypiperidine
SMILESCOC1CCCN(CCCF)C1
InChIInChI=1S/C9H18FNO/c1-12-9-4-2-6-11(8-9)7-3-5-10/h9H,2-8H2,1H3
InChIKeyTTYICQFHNJHIFB-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methoxypiperidine?
The IUPAC name of 1-(3-fluoropropyl)-3-methoxypiperidine (CID 59667673) is 1-(3-fluoropropyl)-3-methoxypiperidine.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methoxypiperidine?
The canonical SMILES for 1-(3-fluoropropyl)-3-methoxypiperidine is COC1CCCN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)-3-methoxypiperidine?
The InChIKey is TTYICQFHNJHIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-12-9-4-2-6-11(8-9)7-3-5-10/h9H,2-8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-methoxypiperidine?
1-(3-fluoropropyl)-3-methoxypiperidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methoxypiperidine is sourced from PubChem (CID 59667673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).