2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine

C25H50N2 — CID 121244596

IUPAC2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine
SMILESCC(C)C1(C)CC(CCCC2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1
InChIInChI=1S/C25H50N2/c1-18(2)24(9)16-20(14-22(5,6)26-24)12-11-13-21-15-23(7,8)27-25(10,17-21)19(3)4/h18-21,26-27H,11-17H2,1-10H3
InChIKeyPQGLQXDIEKQOTH-UHFFFAOYSA-N
MW378.69 g/mol
LogP6.54
Rot. Bonds6

About 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine

2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine (PubChem CID 121244596) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine.

Molecular Properties

Compound Name2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine
PubChem CID121244596
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC Name2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine
SMILESCC(C)C1(C)CC(CCCC2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1
InChIInChI=1S/C25H50N2/c1-18(2)24(9)16-20(14-22(5,6)26-24)12-11-13-21-15-23(7,8)27-25(10,17-21)19(3)4/h18-21,26-27H,11-17H2,1-10H3
InChIKeyPQGLQXDIEKQOTH-UHFFFAOYSA-N
XLogP6.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine?
The IUPAC name of 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine (CID 121244596) is 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine.
What is the SMILES notation for 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine?
The canonical SMILES for 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine is CC(C)C1(C)CC(CCCC2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1.
What is the InChIKey of 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine?
The InChIKey is PQGLQXDIEKQOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2/c1-18(2)24(9)16-20(14-22(5,6)26-24)12-11-13-21-15-23(7,8)27-25(10,17-21)19(3)4/h18-21,26-27H,11-17H2,1-10H3.
What are the key properties of 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine?
2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine has a molecular weight of 378.69 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-propan-2-yl-4-[3-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)propyl]piperidine is sourced from PubChem (CID 121244596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).