1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid

C14H25NO2 — CID 107072525

IUPAC1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
SMILESC=CCCCCCN1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-7-10-15-11-8-9-12(2)13(15)14(16)17/h3,12-13H,1,4-11H2,2H3,(H,16,17)
InChIKeyYZWWWMQQEUMGRR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.92
Rot. Bonds7

About 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid

1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072525) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
PubChem CID107072525
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
SMILESC=CCCCCCN1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-7-10-15-11-8-9-12(2)13(15)14(16)17/h3,12-13H,1,4-11H2,2H3,(H,16,17)
InChIKeyYZWWWMQQEUMGRR-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.92
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

1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
CID 107008015
3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071903
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339
1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
CID 107008070
4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
CID 107007902
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
CID 107072171
2-(1-hept-6-enylpiperidin-2-yl)ethanol
CID 107010082
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid (CID 107072525) is 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid is C=CCCCCCN1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid?
The InChIKey is YZWWWMQQEUMGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-4-5-6-7-10-15-11-8-9-12(2)13(15)14(16)17/h3,12-13H,1,4-11H2,2H3,(H,16,17).
What are the key properties of 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid?
1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).