1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine

C13H24FNO — CID 123341011

IUPAC1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine
SMILESCOC1CCCC(F)C1CN1CCCCC1
InChIInChI=1S/C13H24FNO/c1-16-13-7-5-6-12(14)11(13)10-15-8-3-2-4-9-15/h11-13H,2-10H2,1H3
InChIKeyZKORAGOBJPTICR-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.63
Rot. Bonds3

About 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine

1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine (PubChem CID 123341011) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine
PubChem CID123341011
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine
SMILESCOC1CCCC(F)C1CN1CCCCC1
InChIInChI=1S/C13H24FNO/c1-16-13-7-5-6-12(14)11(13)10-15-8-3-2-4-9-15/h11-13H,2-10H2,1H3
InChIKeyZKORAGOBJPTICR-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine?
The IUPAC name of 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine (CID 123341011) is 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine?
The canonical SMILES for 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine is COC1CCCC(F)C1CN1CCCCC1.
What is the InChIKey of 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine?
The InChIKey is ZKORAGOBJPTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-16-13-7-5-6-12(14)11(13)10-15-8-3-2-4-9-15/h11-13H,2-10H2,1H3.
What are the key properties of 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine?
1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine has a molecular weight of 229.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-6-methoxycyclohexyl)methyl]piperidine is sourced from PubChem (CID 123341011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).