2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid

C14H19NO3 — CID 91418373

IUPAC2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid
SMILESCc1ccc(COC2CCCCN2C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-11-5-7-12(8-6-11)10-18-13-4-2-3-9-15(13)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyAAXOMPXYJADJJD-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.00
Rot. Bonds3

About 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid

2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid (PubChem CID 91418373) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid
PubChem CID91418373
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid
SMILESCc1ccc(COC2CCCCN2C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-11-5-7-12(8-6-11)10-18-13-4-2-3-9-15(13)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyAAXOMPXYJADJJD-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid
CID 68790675
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid
CID 159765233
ethyl 3-[2-[[4-(4-methylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate
CID 54512257
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate
CID 150470163
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
2-[2-(4-methylphenyl)sulfonyloxyethyl]piperidine-1-carboxylic acid
CID 57002173
3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755346
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid (CID 91418373) is 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid is Cc1ccc(COC2CCCCN2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid?
The InChIKey is AAXOMPXYJADJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-5-7-12(8-6-11)10-18-13-4-2-3-9-15(13)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid?
2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 91418373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).