4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid

C14H19NO4 — CID 141023299

IUPAC4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
SMILESCOC1CCN(C(=O)O)CC1OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-18-12-7-8-15(14(16)17)9-13(12)19-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,17)
InChIKeyZWUXRQNCLKWJJM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.97
Rot. Bonds4

About 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid

4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid (PubChem CID 141023299) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
PubChem CID141023299
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
SMILESCOC1CCN(C(=O)O)CC1OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-18-12-7-8-15(14(16)17)9-13(12)19-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,17)
InChIKeyZWUXRQNCLKWJJM-UHFFFAOYSA-N
XLogP1.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-4-(dibenzylamino)-3-methoxypiperidine-1-carboxylic acid
CID 70048023
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
CID 70943335
benzyl (3R,4S,5S)-4-acetyloxy-3-methoxy-5-phenylmethoxypiperidine-1-carboxylate
CID 42639035
3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid
CID 175801457
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid
CID 23157065
tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 91478771

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid (CID 141023299) is 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid is COC1CCN(C(=O)O)CC1OCc1ccccc1.
What is the InChIKey of 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid?
The InChIKey is ZWUXRQNCLKWJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-7-8-15(14(16)17)9-13(12)19-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,17).
What are the key properties of 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid?
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 141023299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).