4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine

C13H18FNO — CID 58103915

IUPAC4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine
SMILESCOc1c(F)cccc1C1CCN(C)CC1
InChIInChI=1S/C13H18FNO/c1-15-8-6-10(7-9-15)11-4-3-5-12(14)13(11)16-2/h3-5,10H,6-9H2,1-2H3
InChIKeyMDMAIDXQXRADBY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.64
Rot. Bonds2

About 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine

4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine (PubChem CID 58103915) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine
PubChem CID58103915
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine
SMILESCOc1c(F)cccc1C1CCN(C)CC1
InChIInChI=1S/C13H18FNO/c1-15-8-6-10(7-9-15)11-4-3-5-12(14)13(11)16-2/h3-5,10H,6-9H2,1-2H3
InChIKeyMDMAIDXQXRADBY-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine?
The IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine (CID 58103915) is 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine.
What is the SMILES notation for 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine?
The canonical SMILES for 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine is COc1c(F)cccc1C1CCN(C)CC1.
What is the InChIKey of 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine?
The InChIKey is MDMAIDXQXRADBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-8-6-10(7-9-15)11-4-3-5-12(14)13(11)16-2/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine?
4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine has a molecular weight of 223.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine is sourced from PubChem (CID 58103915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).