1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol

C13H18FNO2 — CID 24904753

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
SMILESCOc1ccc(CN2CCCC(O)C2)cc1F
InChIInChI=1S/C13H18FNO2/c1-17-13-5-4-10(7-12(13)14)8-15-6-2-3-11(16)9-15/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyOKMSEIGDLVJSFK-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol

1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol (PubChem CID 24904753) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
PubChem CID24904753
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
SMILESCOc1ccc(CN2CCCC(O)C2)cc1F
InChIInChI=1S/C13H18FNO2/c1-17-13-5-4-10(7-12(13)14)8-15-6-2-3-11(16)9-15/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyOKMSEIGDLVJSFK-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 111111498
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63855146
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]cyclohexan-1-ol
CID 110883553
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70765614
2-[(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-5-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazin-3-one
CID 129324164
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol (CID 24904753) is 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol is COc1ccc(CN2CCCC(O)C2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol?
The InChIKey is OKMSEIGDLVJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-13-5-4-10(7-12(13)14)8-15-6-2-3-11(16)9-15/h4-5,7,11,16H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol?
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol has a molecular weight of 239.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 24904753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).