1-pentadecyl-4-piperidin-4-ylpiperidine

C25H50N2 — CID 11561507

IUPAC1-pentadecyl-4-piperidin-4-ylpiperidine
SMILESCCCCCCCCCCCCCCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C25H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-27-22-17-25(18-23-27)24-15-19-26-20-16-24/h24-26H,2-23H2,1H3
InChIKeyZXKNSGQYCVOVOY-UHFFFAOYSA-N
MW378.69 g/mol
LogP6.79
Rot. Bonds15

About 1-pentadecyl-4-piperidin-4-ylpiperidine

1-pentadecyl-4-piperidin-4-ylpiperidine (PubChem CID 11561507) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is 1-pentadecyl-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-pentadecyl-4-piperidin-4-ylpiperidine
PubChem CID11561507
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC Name1-pentadecyl-4-piperidin-4-ylpiperidine
SMILESCCCCCCCCCCCCCCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C25H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-27-22-17-25(18-23-27)24-15-19-26-20-16-24/h24-26H,2-23H2,1H3
InChIKeyZXKNSGQYCVOVOY-UHFFFAOYSA-N
XLogP6.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 56.79
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 1-pentadecyl-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-pentadecyl-4-piperidin-4-ylpiperidine (CID 11561507) is 1-pentadecyl-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-pentadecyl-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-pentadecyl-4-piperidin-4-ylpiperidine is CCCCCCCCCCCCCCCN1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-pentadecyl-4-piperidin-4-ylpiperidine?
The InChIKey is ZXKNSGQYCVOVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-27-22-17-25(18-23-27)24-15-19-26-20-16-24/h24-26H,2-23H2,1H3.
What are the key properties of 1-pentadecyl-4-piperidin-4-ylpiperidine?
1-pentadecyl-4-piperidin-4-ylpiperidine has a molecular weight of 378.69 g/mol, XLogP of 6.79, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 11561507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).