dodecyl 1-methylpiperidine-4-carboxylate

C19H37NO2 — CID 138584013

IUPACdodecyl 1-methylpiperidine-4-carboxylate
SMILESCCCCCCCCCCCCOC(=O)C1CCN(C)CC1
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-17-22-19(21)18-13-15-20(2)16-14-18/h18H,3-17H2,1-2H3
InChIKeyNTZLBGVAQCFGGX-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.79
Rot. Bonds12

About dodecyl 1-methylpiperidine-4-carboxylate

dodecyl 1-methylpiperidine-4-carboxylate (PubChem CID 138584013) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is dodecyl 1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namedodecyl 1-methylpiperidine-4-carboxylate
PubChem CID138584013
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Namedodecyl 1-methylpiperidine-4-carboxylate
SMILESCCCCCCCCCCCCOC(=O)C1CCN(C)CC1
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-17-22-19(21)18-13-15-20(2)16-14-18/h18H,3-17H2,1-2H3
InChIKeyNTZLBGVAQCFGGX-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 1-methylazepane-4-carboxylate
CID 155143217
(5-hexyl-5-hydroxyundecyl) 1-methylpiperidine-4-carboxylate
CID 150984810
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
nonyl cyclopentanecarboxylate
CID 575427
[(14Z,17Z)-5-hydroxy-5-octadeca-9,12-dienyltricosa-14,17-dienyl] 1-methylpiperidine-4-carboxylate
CID 146502964
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588
(2-decyl-12-octoxy-12-oxododecyl) 1-methylpiperidine-4-carboxylate
CID 138599007
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917

Frequently Asked Questions

What is the IUPAC name of dodecyl 1-methylpiperidine-4-carboxylate?
The IUPAC name of dodecyl 1-methylpiperidine-4-carboxylate (CID 138584013) is dodecyl 1-methylpiperidine-4-carboxylate.
What is the SMILES notation for dodecyl 1-methylpiperidine-4-carboxylate?
The canonical SMILES for dodecyl 1-methylpiperidine-4-carboxylate is CCCCCCCCCCCCOC(=O)C1CCN(C)CC1.
What is the InChIKey of dodecyl 1-methylpiperidine-4-carboxylate?
The InChIKey is NTZLBGVAQCFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-17-22-19(21)18-13-15-20(2)16-14-18/h18H,3-17H2,1-2H3.
What are the key properties of dodecyl 1-methylpiperidine-4-carboxylate?
dodecyl 1-methylpiperidine-4-carboxylate has a molecular weight of 311.51 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 138584013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).