1-dodecylpiperidine-4-carboxylic acid

C18H35NO2 — CID 62064821

IUPAC1-dodecylpiperidine-4-carboxylic acid
SMILESCCCCCCCCCCCCN1CCC(C(=O)O)CC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKeyYUDLHTADSREGRJ-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.70
Rot. Bonds12

About 1-dodecylpiperidine-4-carboxylic acid

1-dodecylpiperidine-4-carboxylic acid (PubChem CID 62064821) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-dodecylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-dodecylpiperidine-4-carboxylic acid
PubChem CID62064821
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-dodecylpiperidine-4-carboxylic acid
SMILESCCCCCCCCCCCCN1CCC(C(=O)O)CC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKeyYUDLHTADSREGRJ-UHFFFAOYSA-N
XLogP4.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.70
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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Related Compounds

1-octylpiperidine-4-carboxylic acid
CID 14745626
1-octadecylpiperidine-4-carboxamide
CID 4134920
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
1-octylpiperidin-4-ol
CID 62022103
acetic acid;1-dodecylpyrrolidine
CID 175583827
1-dodecyl-4-(1-nitrosoethenyl)piperidine
CID 58479421
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
1-octylpiperidine-3,4-dicarboxylic acid
CID 115918660

Frequently Asked Questions

What is the IUPAC name of 1-dodecylpiperidine-4-carboxylic acid?
The IUPAC name of 1-dodecylpiperidine-4-carboxylic acid (CID 62064821) is 1-dodecylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-dodecylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-dodecylpiperidine-4-carboxylic acid is CCCCCCCCCCCCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-dodecylpiperidine-4-carboxylic acid?
The InChIKey is YUDLHTADSREGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(20)21/h17H,2-16H2,1H3,(H,20,21).
What are the key properties of 1-dodecylpiperidine-4-carboxylic acid?
1-dodecylpiperidine-4-carboxylic acid has a molecular weight of 297.48 g/mol, XLogP of 4.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpiperidine-4-carboxylic acid is sourced from PubChem (CID 62064821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).