[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol

C14H20FNO2 — CID 82088194

IUPAC[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
SMILESCOc1ccc(F)cc1C1(CO)CCN(C)CC1
InChIInChI=1S/C14H20FNO2/c1-16-7-5-14(10-17,6-8-16)12-9-11(15)3-4-13(12)18-2/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyCPQOVPGQABWHFU-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.79
Rot. Bonds3

About [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol

[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol (PubChem CID 82088194) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
PubChem CID82088194
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
SMILESCOc1ccc(F)cc1C1(CO)CCN(C)CC1
InChIInChI=1S/C14H20FNO2/c1-16-7-5-14(10-17,6-8-16)12-9-11(15)3-4-13(12)18-2/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyCPQOVPGQABWHFU-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82091322
4-(chloromethyl)-4-(5-fluoro-2-methoxyphenyl)oxane
CID 82089670
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
[4-(2,5-dimethylphenyl)-1-methylpiperidin-4-yl]methanol
CID 82082899
4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol
CID 12694024
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
4-fluoro-2-[1-(isocyanatomethyl)cyclopentyl]-1-methoxybenzene
CID 82087101
3-(5-fluoro-2-methoxyphenyl)-4,4-dimethylthian-3-ol
CID 82770394
5-[[3-[1-(5-fluoro-2-methoxyphenyl)cyclopropyl]-2-oxopropanoyl]amino]-2-(hydroxymethyl)benzoic acid
CID 141024780
2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid
CID 82114871
methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842814
4-(5-fluoro-2-methoxyphenyl)-4-(isocyanatomethyl)oxane
CID 82091697

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol?
The IUPAC name of [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol (CID 82088194) is [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol is COc1ccc(F)cc1C1(CO)CCN(C)CC1.
What is the InChIKey of [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol?
The InChIKey is CPQOVPGQABWHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-7-5-14(10-17,6-8-16)12-9-11(15)3-4-13(12)18-2/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol?
[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol has a molecular weight of 253.32 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 [4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 82088194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).