1-heptyl-2-methylpiperidine-4-carboxylic acid

C14H27NO2 — CID 106744769

IUPAC1-heptyl-2-methylpiperidine-4-carboxylic acid
SMILESCCCCCCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-9-15-10-8-13(14(16)17)11-12(15)2/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeySCXDXDFKYOXLTP-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds7

About 1-heptyl-2-methylpiperidine-4-carboxylic acid

1-heptyl-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744769) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-heptyl-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-heptyl-2-methylpiperidine-4-carboxylic acid
PubChem CID106744769
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-heptyl-2-methylpiperidine-4-carboxylic acid
SMILESCCCCCCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-9-15-10-8-13(14(16)17)11-12(15)2/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeySCXDXDFKYOXLTP-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-heptyl-2-methylpiperidine-4-carboxylic acid (CID 106744769) is 1-heptyl-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-heptyl-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-heptyl-2-methylpiperidine-4-carboxylic acid is CCCCCCCN1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-heptyl-2-methylpiperidine-4-carboxylic acid?
The InChIKey is SCXDXDFKYOXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-7-9-15-10-8-13(14(16)17)11-12(15)2/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 1-heptyl-2-methylpiperidine-4-carboxylic acid?
1-heptyl-2-methylpiperidine-4-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).