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

C26H54Cl2N2 — CID 11583539

IUPAC1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride
SMILESCCCCCCCCCCCCCCCN1CCC(C2CCN(C)CC2)CC1.Cl.Cl
InChIInChI=1S/C26H52N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-23-18-26(19-24-28)25-16-21-27(2)22-17-25;;/h25-26H,3-24H2,1-2H3;2*1H
InChIKeyFIGDOOHKAWOQRJ-UHFFFAOYSA-N
MW465.64 g/mol
LogP7.97
Rot. Bonds15

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

1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride (PubChem CID 11583539) has the molecular formula C26H54Cl2N2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride
PubChem CID11583539
Molecular FormulaC26H54Cl2N2
Molecular Weight465.64 g/mol
Exact Mass464.37
IUPAC Name1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride
SMILESCCCCCCCCCCCCCCCN1CCC(C2CCN(C)CC2)CC1.Cl.Cl
InChIInChI=1S/C26H52N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-23-18-26(19-24-28)25-16-21-27(2)22-17-25;;/h25-26H,3-24H2,1-2H3;2*1H
InChIKeyFIGDOOHKAWOQRJ-UHFFFAOYSA-N
XLogP7.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 57.97
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-pentadecylpiperidin-4-yl)piperidine;dihydrochloride?
The IUPAC name of 1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride (CID 11583539) is 1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride.
What is the SMILES notation for 1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride?
The canonical SMILES for 1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride is CCCCCCCCCCCCCCCN1CCC(C2CCN(C)CC2)CC1.Cl.Cl.
What is the InChIKey of 1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride?
The InChIKey is FIGDOOHKAWOQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-23-18-26(19-24-28)25-16-21-27(2)22-17-25;;/h25-26H,3-24H2,1-2H3;2*1H.
What are the key properties of 1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride?
1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride has a molecular weight of 465.64 g/mol, XLogP of 7.97, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride is sourced from PubChem (CID 11583539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).