1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine

C14H20FNO — CID 52992932

IUPAC1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-17-11-13-3-2-8-16(10-13)9-12-4-6-14(15)7-5-12/h4-7,13H,2-3,8-11H2,1H3
InChIKeyRHJKWUWHTOSLCY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.68
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine

1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine (PubChem CID 52992932) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine
PubChem CID52992932
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-17-11-13-3-2-8-16(10-13)9-12-4-6-14(15)7-5-12/h4-7,13H,2-3,8-11H2,1H3
InChIKeyRHJKWUWHTOSLCY-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine (CID 52992932) is 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine is COCC1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The InChIKey is RHJKWUWHTOSLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-17-11-13-3-2-8-16(10-13)9-12-4-6-14(15)7-5-12/h4-7,13H,2-3,8-11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine?
1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine has a molecular weight of 237.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(methoxymethyl)piperidine is sourced from PubChem (CID 52992932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).