1-prop-1-enylpiperidine-4-carboxylic acid

C9H15NO2 — CID 59113362

IUPAC1-prop-1-enylpiperidine-4-carboxylic acid
SMILESCC=CN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO2/c1-2-5-10-6-3-8(4-7-10)9(11)12/h2,5,8H,3-4,6-7H2,1H3,(H,11,12)
InChIKeyFLLFPUBGNVQOAH-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.32
Rot. Bonds2

About 1-prop-1-enylpiperidine-4-carboxylic acid

1-prop-1-enylpiperidine-4-carboxylic acid (PubChem CID 59113362) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-prop-1-enylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-prop-1-enylpiperidine-4-carboxylic acid
PubChem CID59113362
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-prop-1-enylpiperidine-4-carboxylic acid
SMILESCC=CN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO2/c1-2-5-10-6-3-8(4-7-10)9(11)12/h2,5,8H,3-4,6-7H2,1H3,(H,11,12)
InChIKeyFLLFPUBGNVQOAH-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Allylpiperidine-4-carboxylic acid
CID 16244014
1-(3-Methylbut-2-enyl)piperidine-4-carboxylic acid
CID 43385815
1-Pent-4-en-2-ylpiperidine-4-carboxylic acid
CID 54516588
1-Ethenylpiperidine-4-carboxylic acid
CID 59324469
1-Penta-2,4-dien-2-ylpiperidine-4-carboxylic acid
CID 91131247
1-But-2-en-2-ylpiperidine-4-carboxylic acid
CID 123913218
1-But-1-en-2-ylpiperidine-4-carboxylic acid
CID 126748841
1-Prop-1-en-2-ylpiperidine-4-carboxylic acid
CID 126748842
3-Ethenyl-1-methylpiperidine-4-carboxylic acid
CID 135130716
(E)-4-(4-methylpiperidin-1-yl)but-3-enoic acid
CID 169905671
1-(2-Methylprop-2-enyl)piperidine-4-carboxylic acid
CID 43385776
1-[(E)-but-2-enyl]piperidine-4-carboxylic acid
CID 43441623

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enylpiperidine-4-carboxylic acid?
The IUPAC name of 1-prop-1-enylpiperidine-4-carboxylic acid (CID 59113362) is 1-prop-1-enylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-prop-1-enylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-prop-1-enylpiperidine-4-carboxylic acid is CC=CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-prop-1-enylpiperidine-4-carboxylic acid?
The InChIKey is FLLFPUBGNVQOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-5-10-6-3-8(4-7-10)9(11)12/h2,5,8H,3-4,6-7H2,1H3,(H,11,12).
What are the key properties of 1-prop-1-enylpiperidine-4-carboxylic acid?
1-prop-1-enylpiperidine-4-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylpiperidine-4-carboxylic acid is sourced from PubChem (CID 59113362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).