1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid

C15H29NO5 — CID 106991436

IUPAC1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(O)COCCOC)C1
InChIInChI=1S/C15H29NO5/c1-3-5-15(14(18)19)6-4-7-16(12-15)10-13(17)11-21-9-8-20-2/h13,17H,3-12H2,1-2H3,(H,18,19)
InChIKeyIYKHWNILKVKNES-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.98
Rot. Bonds10

About 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid

1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 106991436) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID106991436
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(O)COCCOC)C1
InChIInChI=1S/C15H29NO5/c1-3-5-15(14(18)19)6-4-7-16(12-15)10-13(17)11-21-9-8-20-2/h13,17H,3-12H2,1-2H3,(H,18,19)
InChIKeyIYKHWNILKVKNES-UHFFFAOYSA-N
XLogP0.98
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-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

1-(3-butoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107263583
1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63932595
1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 103410884
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
1-(2-cyano-3,3,3-trifluoropropyl)-3-propylpiperidine-3-carboxylic acid
CID 103371544
1-(carboxymethyl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 70764061
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid (CID 106991436) is 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CC(O)COCCOC)C1.
What is the InChIKey of 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is IYKHWNILKVKNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-3-5-15(14(18)19)6-4-7-16(12-15)10-13(17)11-21-9-8-20-2/h13,17H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid?
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 106991436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).