2-nonylpiperidine-1-carboxylic acid

C15H29NO2 — CID 69469776

IUPAC2-nonylpiperidine-1-carboxylic acid
SMILESCCCCCCCCCC1CCCCN1C(=O)O
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-16(14)15(17)18/h14H,2-13H2,1H3,(H,17,18)
InChIKeyCNBICZLRFQQWFB-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.66
Rot. Bonds8

About 2-nonylpiperidine-1-carboxylic acid

2-nonylpiperidine-1-carboxylic acid (PubChem CID 69469776) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-nonylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-nonylpiperidine-1-carboxylic acid
PubChem CID69469776
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-nonylpiperidine-1-carboxylic acid
SMILESCCCCCCCCCC1CCCCN1C(=O)O
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-16(14)15(17)18/h14H,2-13H2,1H3,(H,17,18)
InChIKeyCNBICZLRFQQWFB-UHFFFAOYSA-N
XLogP4.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)piperidine-1-carboxylic acid
CID 68868477
methyl 2-dodecylpyrrolidine-1-carboxylate
CID 175232905
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
1-ethyl-2-hexadecylpiperidine
CID 159279911
7-[1-(2-oxoheptanoyl)pyrrolidin-2-yl]heptanoic acid
CID 58958696
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 162620815
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
2-butyl-1-hexylpiperidine
CID 171569565

Frequently Asked Questions

What is the IUPAC name of 2-nonylpiperidine-1-carboxylic acid?
The IUPAC name of 2-nonylpiperidine-1-carboxylic acid (CID 69469776) is 2-nonylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-nonylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-nonylpiperidine-1-carboxylic acid is CCCCCCCCCC1CCCCN1C(=O)O.
What is the InChIKey of 2-nonylpiperidine-1-carboxylic acid?
The InChIKey is CNBICZLRFQQWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-16(14)15(17)18/h14H,2-13H2,1H3,(H,17,18).
What are the key properties of 2-nonylpiperidine-1-carboxylic acid?
2-nonylpiperidine-1-carboxylic acid has a molecular weight of 255.40 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylpiperidine-1-carboxylic acid is sourced from PubChem (CID 69469776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).