1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride

C24H50Cl2N2 — CID 11539395

IUPAC1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride
SMILESCCCCCCCCCCCCCN1CCC(C2CCN(C)CC2)CC1.Cl.Cl
InChIInChI=1S/C24H48N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-26-21-16-24(17-22-26)23-14-19-25(2)20-15-23;;/h23-24H,3-22H2,1-2H3;2*1H
InChIKeyMMGPTGGGKSOPOA-UHFFFAOYSA-N
MW437.58 g/mol
LogP7.19
Rot. Bonds13

About 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride

1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride (PubChem CID 11539395) has the molecular formula C24H50Cl2N2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride
PubChem CID11539395
Molecular FormulaC24H50Cl2N2
Molecular Weight437.58 g/mol
Exact Mass436.34
IUPAC Name1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride
SMILESCCCCCCCCCCCCCN1CCC(C2CCN(C)CC2)CC1.Cl.Cl
InChIInChI=1S/C24H48N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-26-21-16-24(17-22-26)23-14-19-25(2)20-15-23;;/h23-24H,3-22H2,1-2H3;2*1H
InChIKeyMMGPTGGGKSOPOA-UHFFFAOYSA-N
XLogP7.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride?
The IUPAC name of 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride (CID 11539395) is 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride.
What is the SMILES notation for 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride?
The canonical SMILES for 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride is CCCCCCCCCCCCCN1CCC(C2CCN(C)CC2)CC1.Cl.Cl.
What is the InChIKey of 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride?
The InChIKey is MMGPTGGGKSOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-26-21-16-24(17-22-26)23-14-19-25(2)20-15-23;;/h23-24H,3-22H2,1-2H3;2*1H.
What are the key properties of 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride?
1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride has a molecular weight of 437.58 g/mol, XLogP of 7.19, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride is sourced from PubChem (CID 11539395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).