[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol

C14H20FNO2 — CID 104795426

IUPAC[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1cccc(CC2(CO)CCNCC2)c1F
InChIInChI=1S/C14H20FNO2/c1-18-12-4-2-3-11(13(12)15)9-14(10-17)5-7-16-8-6-14/h2-4,16-17H,5-10H2,1H3
InChIKeyDDZCGQCFRPTBBG-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.74
Rot. Bonds4

About [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol

[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 104795426) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
PubChem CID104795426
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1cccc(CC2(CO)CCNCC2)c1F
InChIInChI=1S/C14H20FNO2/c1-18-12-4-2-3-11(13(12)15)9-14(10-17)5-7-16-8-6-14/h2-4,16-17H,5-10H2,1H3
InChIKeyDDZCGQCFRPTBBG-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116573215
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 104792796
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
1-(3-ethylpyrrolidin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116570400
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104794738
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol (CID 104795426) is [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol is COc1cccc(CC2(CO)CCNCC2)c1F.
What is the InChIKey of [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is DDZCGQCFRPTBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-12-4-2-3-11(13(12)15)9-14(10-17)5-7-16-8-6-14/h2-4,16-17H,5-10H2,1H3.
What are the key properties of [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol?
[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 253.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 104795426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).