3-(4-methoxybutyl)piperidine-3-carboxylic acid

C11H21NO3 — CID 104648540

IUPAC3-(4-methoxybutyl)piperidine-3-carboxylic acid
SMILESCOCCCCC1(C(=O)O)CCCNC1
InChIInChI=1S/C11H21NO3/c1-15-8-3-2-5-11(10(13)14)6-4-7-12-9-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeyZORZVBSBZKLCBK-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.26
Rot. Bonds6

About 3-(4-methoxybutyl)piperidine-3-carboxylic acid

3-(4-methoxybutyl)piperidine-3-carboxylic acid (PubChem CID 104648540) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(4-methoxybutyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxybutyl)piperidine-3-carboxylic acid
PubChem CID104648540
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(4-methoxybutyl)piperidine-3-carboxylic acid
SMILESCOCCCCC1(C(=O)O)CCCNC1
InChIInChI=1S/C11H21NO3/c1-15-8-3-2-5-11(10(13)14)6-4-7-12-9-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeyZORZVBSBZKLCBK-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63141172
3-(6-hydroxyhexyl)piperidine-3-carboxylic acid
CID 107704736
3-(methoxymethyl)piperidine-3-carboxylic acid;hydrochloride
CID 122163546
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
1-(4-chlorobutyl)cyclopentane-1-carboxylic acid;1-(4-methoxybutyl)cyclopentane-1-carboxylic acid;methyl 1-(4-chlorobutyl)cyclopentane-1-carboxylate
CID 162075070
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
3-(4-methoxybutyl)-1,1-dioxothiolane-3-carboxylic acid
CID 104650576
3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(4-methoxybutyl)piperidine-3-carboxylic acid (CID 104648540) is 3-(4-methoxybutyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(4-methoxybutyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(4-methoxybutyl)piperidine-3-carboxylic acid is COCCCCC1(C(=O)O)CCCNC1.
What is the InChIKey of 3-(4-methoxybutyl)piperidine-3-carboxylic acid?
The InChIKey is ZORZVBSBZKLCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-15-8-3-2-5-11(10(13)14)6-4-7-12-9-11/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 3-(4-methoxybutyl)piperidine-3-carboxylic acid?
3-(4-methoxybutyl)piperidine-3-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104648540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).