4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid

C13H23NO2 — CID 114431232

IUPAC4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
SMILESC=CCCCN1CCC(CC)CC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-3-5-6-8-14-9-7-11(4-2)10-12(14)13(15)16/h3,11-12H,1,4-10H2,2H3,(H,15,16)
InChIKeyOLVDQDMIXYYCHA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.53
Rot. Bonds6

About 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid

4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid (PubChem CID 114431232) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
PubChem CID114431232
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
SMILESC=CCCCN1CCC(CC)CC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-3-5-6-8-14-9-7-11(4-2)10-12(14)13(15)16/h3,11-12H,1,4-10H2,2H3,(H,15,16)
InChIKeyOLVDQDMIXYYCHA-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
CID 107007902
4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-2-carboxylic acid
CID 114431889
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
4-pent-4-enylthiomorpholine-3-carboxylic acid
CID 82906566
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430483
1-hept-6-enylpiperazine-2-carboxylic acid
CID 107008029
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid (CID 114431232) is 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid is C=CCCCN1CCC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid?
The InChIKey is OLVDQDMIXYYCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-6-8-14-9-7-11(4-2)10-12(14)13(15)16/h3,11-12H,1,4-10H2,2H3,(H,15,16).
What are the key properties of 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid?
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114431232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).