4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid

C15H27NO2 — CID 107007902

IUPAC4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
SMILESC=CCCCCCN1CCC(CC)CC1C(=O)O
InChIInChI=1S/C15H27NO2/c1-3-5-6-7-8-10-16-11-9-13(4-2)12-14(16)15(17)18/h3,13-14H,1,4-12H2,2H3,(H,17,18)
InChIKeyBVDOZJHHHVJMDQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.31
Rot. Bonds8

About 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid

4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid (PubChem CID 107007902) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
PubChem CID107007902
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
SMILESC=CCCCCCN1CCC(CC)CC1C(=O)O
InChIInChI=1S/C15H27NO2/c1-3-5-6-7-8-10-16-11-9-13(4-2)12-14(16)15(17)18/h3,13-14H,1,4-12H2,2H3,(H,17,18)
InChIKeyBVDOZJHHHVJMDQ-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.31
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-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
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
1-hept-6-enylpiperazine-2-carboxylic acid
CID 107008029
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
4-pent-4-enylthiomorpholine-3-carboxylic acid
CID 82906566
1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
CID 107072525
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid (CID 107007902) is 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid is C=CCCCCCN1CCC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid?
The InChIKey is BVDOZJHHHVJMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-5-6-7-8-10-16-11-9-13(4-2)12-14(16)15(17)18/h3,13-14H,1,4-12H2,2H3,(H,17,18).
What are the key properties of 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid?
4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107007902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).