1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine

C13H18FNO — CID 22372485

IUPAC1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(F)c(CN2CCCCC2)c1
InChIInChI=1S/C13H18FNO/c1-16-12-5-6-13(14)11(9-12)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyACPRVBDQDOLTNR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.82
Rot. Bonds3

About 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine

1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine (PubChem CID 22372485) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
PubChem CID22372485
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(F)c(CN2CCCCC2)c1
InChIInChI=1S/C13H18FNO/c1-16-12-5-6-13(14)11(9-12)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyACPRVBDQDOLTNR-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
CID 56914097
2-[2-(azepan-1-ylmethyl)-4-methoxyphenyl]ethanamine
CID 170868855
[2-(azepan-1-ylmethyl)-4-methoxyphenyl]boronic acid
CID 65323323
1-[(2-bromo-4-methoxyphenyl)methyl]pyrrolidine
CID 117220863
1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
CID 58236539
(3aS,6aR)-2-[(2-fluoro-5-methoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138807884
bis((Z)-but-2-enedioic acid);1-[[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
CID 86737178
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386122
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 102876137
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid
CID 75485818
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine?
The IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine (CID 22372485) is 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine is COc1ccc(F)c(CN2CCCCC2)c1.
What is the InChIKey of 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine?
The InChIKey is ACPRVBDQDOLTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-12-5-6-13(14)11(9-12)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine?
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 22372485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).