1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid

C14H25NO6 — CID 67036881

IUPAC1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
SMILESCCCCOC(=O)N1CCC(OCCOC)(C(=O)O)CC1
InChIInChI=1S/C14H25NO6/c1-3-4-9-20-13(18)15-7-5-14(6-8-15,12(16)17)21-11-10-19-2/h3-11H2,1-2H3,(H,16,17)
InChIKeyJFGVZWKDWARNLZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.51
Rot. Bonds8

About 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid

1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid (PubChem CID 67036881) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
PubChem CID67036881
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
SMILESCCCCOC(=O)N1CCC(OCCOC)(C(=O)O)CC1
InChIInChI=1S/C14H25NO6/c1-3-4-9-20-13(18)15-7-5-14(6-8-15,12(16)17)21-11-10-19-2/h3-11H2,1-2H3,(H,16,17)
InChIKeyJFGVZWKDWARNLZ-UHFFFAOYSA-N
XLogP1.51
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
butyl aziridine-1-carboxylate
CID 12641
butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate
CID 108569961
butyl 4-(2-amino-4-methoxybutanoyl)piperazine-1-carboxylate
CID 68599877
4-methoxybutyl pyrrolidine-1-carboxylate
CID 172841954
1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
CID 114990948
butyl 4-(2-oxoethyl)piperazine-1-carboxylate
CID 142734941
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate
CID 19960200

Frequently Asked Questions

What is the IUPAC name of 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid (CID 67036881) is 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid is CCCCOC(=O)N1CCC(OCCOC)(C(=O)O)CC1.
What is the InChIKey of 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid?
The InChIKey is JFGVZWKDWARNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-3-4-9-20-13(18)15-7-5-14(6-8-15,12(16)17)21-11-10-19-2/h3-11H2,1-2H3,(H,16,17).
What are the key properties of 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid?
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 67036881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).