6-but-2-ynylpiperidine-2-carboxylic acid

C10H15NO2 — CID 112574506

IUPAC6-but-2-ynylpiperidine-2-carboxylic acid
SMILESCC#CCC1CCCC(C(=O)O)N1
InChIInChI=1S/C10H15NO2/c1-2-3-5-8-6-4-7-9(11-8)10(12)13/h8-9,11H,4-7H2,1H3,(H,12,13)
InChIKeyVLLUAZGQFNKVDZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.00
Rot. Bonds2

About 6-but-2-ynylpiperidine-2-carboxylic acid

6-but-2-ynylpiperidine-2-carboxylic acid (PubChem CID 112574506) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-but-2-ynylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-but-2-ynylpiperidine-2-carboxylic acid
PubChem CID112574506
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name6-but-2-ynylpiperidine-2-carboxylic acid
SMILESCC#CCC1CCCC(C(=O)O)N1
InChIInChI=1S/C10H15NO2/c1-2-3-5-8-6-4-7-9(11-8)10(12)13/h8-9,11H,4-7H2,1H3,(H,12,13)
InChIKeyVLLUAZGQFNKVDZ-UHFFFAOYSA-N
XLogP1.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
6-octylpiperidine-2-carboxylic acid
CID 112574283
6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid
CID 112574146
6-benzylpiperidine-2-carboxylic acid
CID 112574120
6-[(2,6-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 112574019
6-[(3,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 112574463
5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004
6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 105375148
(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
CID 50919304
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 113470527
6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 112574038
6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 90725204

Frequently Asked Questions

What is the IUPAC name of 6-but-2-ynylpiperidine-2-carboxylic acid?
The IUPAC name of 6-but-2-ynylpiperidine-2-carboxylic acid (CID 112574506) is 6-but-2-ynylpiperidine-2-carboxylic acid.
What is the SMILES notation for 6-but-2-ynylpiperidine-2-carboxylic acid?
The canonical SMILES for 6-but-2-ynylpiperidine-2-carboxylic acid is CC#CCC1CCCC(C(=O)O)N1.
What is the InChIKey of 6-but-2-ynylpiperidine-2-carboxylic acid?
The InChIKey is VLLUAZGQFNKVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-5-8-6-4-7-9(11-8)10(12)13/h8-9,11H,4-7H2,1H3,(H,12,13).
What are the key properties of 6-but-2-ynylpiperidine-2-carboxylic acid?
6-but-2-ynylpiperidine-2-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-ynylpiperidine-2-carboxylic acid is sourced from PubChem (CID 112574506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).