1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate

C22H41NO4 — CID 91742588

IUPAC1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
SMILESCCCCCCCCCCCCCCOC(=O)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C22H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-21(24)20-15-17-23(18-16-20)22(25)26-2/h20H,3-19H2,1-2H3
InChIKeyLFGDXUSTJXCDHQ-UHFFFAOYSA-N
MW383.57 g/mol
LogP5.71
Rot. Bonds14

About 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate

1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate (PubChem CID 91742588) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
PubChem CID91742588
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Name1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
SMILESCCCCCCCCCCCCCCOC(=O)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C22H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-21(24)20-15-17-23(18-16-20)22(25)26-2/h20H,3-19H2,1-2H3
InChIKeyLFGDXUSTJXCDHQ-UHFFFAOYSA-N
XLogP5.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.57
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
nonyl 1-prop-2-enoylpiperidine-4-carboxylate
CID 91738806
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
heptyl 1-(3-chloropropanoyl)piperidine-4-carboxylate
CID 91740781

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate (CID 91742588) is 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate is CCCCCCCCCCCCCCOC(=O)C1CCN(C(=O)OC)CC1.
What is the InChIKey of 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate?
The InChIKey is LFGDXUSTJXCDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-21(24)20-15-17-23(18-16-20)22(25)26-2/h20H,3-19H2,1-2H3.
What are the key properties of 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate?
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate has a molecular weight of 383.57 g/mol, XLogP of 5.71, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 91742588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).