3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid

C14H18FNO3 — CID 104792796

IUPAC3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(CC2(C(=O)O)CCCNC2)c1F
InChIInChI=1S/C14H18FNO3/c1-19-11-5-2-4-10(12(11)15)8-14(13(17)18)6-3-7-16-9-14/h2,4-5,16H,3,6-9H2,1H3,(H,17,18)
InChIKeySNSKFXYHQAOXCM-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.83
Rot. Bonds4

About 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid

3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 104792796) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID104792796
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(CC2(C(=O)O)CCCNC2)c1F
InChIInChI=1S/C14H18FNO3/c1-19-11-5-2-4-10(12(11)15)8-14(13(17)18)6-3-7-16-9-14/h2,4-5,16H,3,6-9H2,1H3,(H,17,18)
InChIKeySNSKFXYHQAOXCM-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpyrrolidin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116570400
[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 104795426
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715
1-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cycloheptane-1-carboxylic acid
CID 146138199
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
3-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132717
3-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140525
3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 63132024
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116573215

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid (CID 104792796) is 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid is COc1cccc(CC2(C(=O)O)CCCNC2)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is SNSKFXYHQAOXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-11-5-2-4-10(12(11)15)8-14(13(17)18)6-3-7-16-9-14/h2,4-5,16H,3,6-9H2,1H3,(H,17,18).
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid?
3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 104792796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).