4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine

C27H54N2 — CID 121244605

IUPAC4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine
SMILESCC(C)C1CC(CCCCCCCC2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C27H54N2/c1-20(2)24-16-22(18-26(5,6)28-24)14-12-10-9-11-13-15-23-17-25(21(3)4)29-27(7,8)19-23/h20-25,28-29H,9-19H2,1-8H3
InChIKeyHIKHRDCKFMWOPZ-UHFFFAOYSA-N
MW406.74 g/mol
LogP7.32
Rot. Bonds10

About 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine

4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine (PubChem CID 121244605) has the molecular formula C27H54N2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine
PubChem CID121244605
Molecular FormulaC27H54N2
Molecular Weight406.74 g/mol
Exact Mass406.43
IUPAC Name4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine
SMILESCC(C)C1CC(CCCCCCCC2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C27H54N2/c1-20(2)24-16-22(18-26(5,6)28-24)14-12-10-9-11-13-15-23-17-25(21(3)4)29-27(7,8)19-23/h20-25,28-29H,9-19H2,1-8H3
InChIKeyHIKHRDCKFMWOPZ-UHFFFAOYSA-N
XLogP7.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The IUPAC name of 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine (CID 121244605) is 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine.
What is the SMILES notation for 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The canonical SMILES for 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine is CC(C)C1CC(CCCCCCCC2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The InChIKey is HIKHRDCKFMWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2/c1-20(2)24-16-22(18-26(5,6)28-24)14-12-10-9-11-13-15-23-17-25(21(3)4)29-27(7,8)19-23/h20-25,28-29H,9-19H2,1-8H3.
What are the key properties of 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine has a molecular weight of 406.74 g/mol, XLogP of 7.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)heptyl]-2,2-dimethyl-6-propan-2-ylpiperidine is sourced from PubChem (CID 121244605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).