5-(piperidin-4-ylmethyl)hex-5-enoic acid

C12H21NO2 — CID 167244892

IUPAC5-(piperidin-4-ylmethyl)hex-5-enoic acid
SMILESC=C(CCCC(=O)O)CC1CCNCC1
InChIInChI=1S/C12H21NO2/c1-10(3-2-4-12(14)15)9-11-5-7-13-8-6-11/h11,13H,1-9H2,(H,14,15)
InChIKeyFYQRTBAFIPDFCZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.19
Rot. Bonds6

About 5-(piperidin-4-ylmethyl)hex-5-enoic acid

5-(piperidin-4-ylmethyl)hex-5-enoic acid (PubChem CID 167244892) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethyl)hex-5-enoic acid.

Molecular Properties

Compound Name5-(piperidin-4-ylmethyl)hex-5-enoic acid
PubChem CID167244892
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5-(piperidin-4-ylmethyl)hex-5-enoic acid
SMILESC=C(CCCC(=O)O)CC1CCNCC1
InChIInChI=1S/C12H21NO2/c1-10(3-2-4-12(14)15)9-11-5-7-13-8-6-11/h11,13H,1-9H2,(H,14,15)
InChIKeyFYQRTBAFIPDFCZ-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.19
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-ylmethyl)hex-5-enoic acid?
The IUPAC name of 5-(piperidin-4-ylmethyl)hex-5-enoic acid (CID 167244892) is 5-(piperidin-4-ylmethyl)hex-5-enoic acid.
What is the SMILES notation for 5-(piperidin-4-ylmethyl)hex-5-enoic acid?
The canonical SMILES for 5-(piperidin-4-ylmethyl)hex-5-enoic acid is C=C(CCCC(=O)O)CC1CCNCC1.
What is the InChIKey of 5-(piperidin-4-ylmethyl)hex-5-enoic acid?
The InChIKey is FYQRTBAFIPDFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(3-2-4-12(14)15)9-11-5-7-13-8-6-11/h11,13H,1-9H2,(H,14,15).
What are the key properties of 5-(piperidin-4-ylmethyl)hex-5-enoic acid?
5-(piperidin-4-ylmethyl)hex-5-enoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethyl)hex-5-enoic acid is sourced from PubChem (CID 167244892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).