1-but-2-en-2-ylpiperidine-4-carboxylic acid

C10H17NO2 — CID 123913218

IUPAC1-but-2-en-2-ylpiperidine-4-carboxylic acid
SMILESCC=C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)11-6-4-9(5-7-11)10(12)13/h3,9H,4-7H2,1-2H3,(H,12,13)
InChIKeyIIKUSFRLAMLZMD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.71
Rot. Bonds2

About 1-but-2-en-2-ylpiperidine-4-carboxylic acid

1-but-2-en-2-ylpiperidine-4-carboxylic acid (PubChem CID 123913218) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-but-2-en-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-but-2-en-2-ylpiperidine-4-carboxylic acid
PubChem CID123913218
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-but-2-en-2-ylpiperidine-4-carboxylic acid
SMILESCC=C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)11-6-4-9(5-7-11)10(12)13/h3,9H,4-7H2,1-2H3,(H,12,13)
InChIKeyIIKUSFRLAMLZMD-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-but-2-en-2-ylpiperidine-4-carboxylic acid (CID 123913218) is 1-but-2-en-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-but-2-en-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-but-2-en-2-ylpiperidine-4-carboxylic acid is CC=C(C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-but-2-en-2-ylpiperidine-4-carboxylic acid?
The InChIKey is IIKUSFRLAMLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8(2)11-6-4-9(5-7-11)10(12)13/h3,9H,4-7H2,1-2H3,(H,12,13).
What are the key properties of 1-but-2-en-2-ylpiperidine-4-carboxylic acid?
1-but-2-en-2-ylpiperidine-4-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 123913218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).