4-piperidin-4-yl-1-tridecylpiperidine

C23H46N2 — CID 11553599

IUPAC4-piperidin-4-yl-1-tridecylpiperidine
SMILESCCCCCCCCCCCCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C23H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-20-15-23(16-21-25)22-13-17-24-18-14-22/h22-24H,2-21H2,1H3
InChIKeyQJZJTAWPLVQRGS-UHFFFAOYSA-N
MW350.64 g/mol
LogP6.01
Rot. Bonds13

About 4-piperidin-4-yl-1-tridecylpiperidine

4-piperidin-4-yl-1-tridecylpiperidine (PubChem CID 11553599) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 4-piperidin-4-yl-1-tridecylpiperidine.

Molecular Properties

Compound Name4-piperidin-4-yl-1-tridecylpiperidine
PubChem CID11553599
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name4-piperidin-4-yl-1-tridecylpiperidine
SMILESCCCCCCCCCCCCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C23H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-20-15-23(16-21-25)22-13-17-24-18-14-22/h22-24H,2-21H2,1H3
InChIKeyQJZJTAWPLVQRGS-UHFFFAOYSA-N
XLogP6.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 56.01
H-Bond Donors ≤ 51
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 4-piperidin-4-yl-1-tridecylpiperidine?
The IUPAC name of 4-piperidin-4-yl-1-tridecylpiperidine (CID 11553599) is 4-piperidin-4-yl-1-tridecylpiperidine.
What is the SMILES notation for 4-piperidin-4-yl-1-tridecylpiperidine?
The canonical SMILES for 4-piperidin-4-yl-1-tridecylpiperidine is CCCCCCCCCCCCCN1CCC(C2CCNCC2)CC1.
What is the InChIKey of 4-piperidin-4-yl-1-tridecylpiperidine?
The InChIKey is QJZJTAWPLVQRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-20-15-23(16-21-25)22-13-17-24-18-14-22/h22-24H,2-21H2,1H3.
What are the key properties of 4-piperidin-4-yl-1-tridecylpiperidine?
4-piperidin-4-yl-1-tridecylpiperidine has a molecular weight of 350.64 g/mol, XLogP of 6.01, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1-tridecylpiperidine is sourced from PubChem (CID 11553599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).