1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine

C22H45NO2 — CID 150261400

IUPAC1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine
SMILESCCCCCCCCCC(CCCN1CCC(C)CC1)C(OC)OC
InChIInChI=1S/C22H45NO2/c1-5-6-7-8-9-10-11-13-21(22(24-3)25-4)14-12-17-23-18-15-20(2)16-19-23/h20-22H,5-19H2,1-4H3
InChIKeyGBQAQJATUPHBLY-UHFFFAOYSA-N
MW355.61 g/mol
LogP5.87
Rot. Bonds15

About 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine

1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine (PubChem CID 150261400) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine
PubChem CID150261400
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Name1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine
SMILESCCCCCCCCCC(CCCN1CCC(C)CC1)C(OC)OC
InChIInChI=1S/C22H45NO2/c1-5-6-7-8-9-10-11-13-21(22(24-3)25-4)14-12-17-23-18-15-20(2)16-19-23/h20-22H,5-19H2,1-4H3
InChIKeyGBQAQJATUPHBLY-UHFFFAOYSA-N
XLogP5.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(4-methylpiperidin-1-yl)hexan-3-ol
CID 106802233
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1,4-dimethylpiperidine;ethane;heptane
CID 156708934
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
6-(dimethoxymethyl)tetradecane-3-thiol
CID 150828856
2-methyl-5-(4-methylpiperidin-1-yl)pentan-1-amine
CID 82010619
4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine
CID 58623460
4-fluoro-1-octylpiperidine
CID 130358850
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
1-octylpiperidin-4-ol
CID 62022103

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine?
The IUPAC name of 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine (CID 150261400) is 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine?
The canonical SMILES for 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine is CCCCCCCCCC(CCCN1CCC(C)CC1)C(OC)OC.
What is the InChIKey of 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine?
The InChIKey is GBQAQJATUPHBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-5-6-7-8-9-10-11-13-21(22(24-3)25-4)14-12-17-23-18-15-20(2)16-19-23/h20-22H,5-19H2,1-4H3.
What are the key properties of 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine?
1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine has a molecular weight of 355.61 g/mol, XLogP of 5.87, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethoxymethyl)tridecyl]-4-methylpiperidine is sourced from PubChem (CID 150261400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).