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

C14H18FNO3 — CID 5175119

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(F)cc1CN1CCCCC1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-19-13-6-5-11(15)8-10(13)9-16-7-3-2-4-12(16)14(17)18/h5-6,8,12H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyYAPRDAPZQGKMFM-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.27
Rot. Bonds4

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

1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 5175119) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID5175119
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(F)cc1CN1CCCCC1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-19-13-6-5-11(15)8-10(13)9-16-7-3-2-4-12(16)14(17)18/h5-6,8,12H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyYAPRDAPZQGKMFM-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 64770279
1-[(5-fluoro-2-nitrophenyl)methyl]piperidine-2-carboxylic acid
CID 43443753
(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 167938640
1-[(5-fluoro-2-nitrophenyl)methyl]azepane-2-carboxylic acid
CID 64563737
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 4612609
(2S)-1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 129395291
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid (CID 5175119) is 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid is COc1ccc(F)cc1CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is YAPRDAPZQGKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-13-6-5-11(15)8-10(13)9-16-7-3-2-4-12(16)14(17)18/h5-6,8,12H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5175119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).