5-piperidin-4-ylhex-5-enoic acid

C11H19NO2 — CID 167245030

IUPAC5-piperidin-4-ylhex-5-enoic acid
SMILESC=C(CCCC(=O)O)C1CCNCC1
InChIInChI=1S/C11H19NO2/c1-9(3-2-4-11(13)14)10-5-7-12-8-6-10/h10,12H,1-8H2,(H,13,14)
InChIKeyUUOFNSXJCJHBIZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.80
Rot. Bonds5

About 5-piperidin-4-ylhex-5-enoic acid

5-piperidin-4-ylhex-5-enoic acid (PubChem CID 167245030) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-piperidin-4-ylhex-5-enoic acid.

Molecular Properties

Compound Name5-piperidin-4-ylhex-5-enoic acid
PubChem CID167245030
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-piperidin-4-ylhex-5-enoic acid
SMILESC=C(CCCC(=O)O)C1CCNCC1
InChIInChI=1S/C11H19NO2/c1-9(3-2-4-11(13)14)10-5-7-12-8-6-10/h10,12H,1-8H2,(H,13,14)
InChIKeyUUOFNSXJCJHBIZ-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid
CID 127032654
3-Piperidyl-3-vinyl-7-octenecarboxylic acid
CID 129811575
3-Piperidyl-3-vinyl-7-octenoic acid
CID 129811900
3-(3-Vinyl-4-piperidinyl)propanoic acid
CID 24973475
4-(3-Piperidyl)butanoic acid
CID 15583540
5-Piperidin-3-ylpentanoic acid
CID 19878348
5-(Piperidin-4-yl)pentanoic acid
CID 53803930
6-Piperidin-4-ylhexanoic acid
CID 57171296
7-Piperidin-4-ylheptanoic acid
CID 57216305
2-Piperidin-2-ylbut-3-enoic acid
CID 67586300
2-Methyl-5-piperidin-4-ylpentanoic acid
CID 67605396
1,2,3,4,4a,5,6,7-Octahydroisoquinoline-7-carboxylic acid
CID 68564028

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylhex-5-enoic acid?
The IUPAC name of 5-piperidin-4-ylhex-5-enoic acid (CID 167245030) is 5-piperidin-4-ylhex-5-enoic acid.
What is the SMILES notation for 5-piperidin-4-ylhex-5-enoic acid?
The canonical SMILES for 5-piperidin-4-ylhex-5-enoic acid is C=C(CCCC(=O)O)C1CCNCC1.
What is the InChIKey of 5-piperidin-4-ylhex-5-enoic acid?
The InChIKey is UUOFNSXJCJHBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(3-2-4-11(13)14)10-5-7-12-8-6-10/h10,12H,1-8H2,(H,13,14).
What are the key properties of 5-piperidin-4-ylhex-5-enoic acid?
5-piperidin-4-ylhex-5-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-ylhex-5-enoic acid is sourced from PubChem (CID 167245030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).