4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine

C36H71N3 — CID 121247900

IUPAC4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(CCC(C2CC(C(C)C)NC(C(C)C)C2)C2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C36H71N3/c1-21(2)31-15-27(16-32(37-31)22(3)4)13-14-30(28-17-33(23(5)6)38-34(18-28)24(7)8)29-19-35(25(9)10)39-36(20-29)26(11)12/h21-39H,13-20H2,1-12H3
InChIKeyCQHLRQFYWSTXGM-UHFFFAOYSA-N
MW545.99 g/mol
LogP8.53
Rot. Bonds11

About 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine

4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine (PubChem CID 121247900) has the molecular formula C36H71N3 and a molecular weight of 545.99 g/mol. Its IUPAC name is 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine
PubChem CID121247900
Molecular FormulaC36H71N3
Molecular Weight545.99 g/mol
Exact Mass545.56
IUPAC Name4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(CCC(C2CC(C(C)C)NC(C(C)C)C2)C2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C36H71N3/c1-21(2)31-15-27(16-32(37-31)22(3)4)13-14-30(28-17-33(23(5)6)38-34(18-28)24(7)8)29-19-35(25(9)10)39-36(20-29)26(11)12/h21-39H,13-20H2,1-12H3
InChIKeyCQHLRQFYWSTXGM-UHFFFAOYSA-N
XLogP8.53
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.99
LogP ≤ 58.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine?
The IUPAC name of 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine (CID 121247900) is 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine.
What is the SMILES notation for 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine?
The canonical SMILES for 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine is CC(C)C1CC(CCC(C2CC(C(C)C)NC(C(C)C)C2)C2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1.
What is the InChIKey of 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine?
The InChIKey is CQHLRQFYWSTXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H71N3/c1-21(2)31-15-27(16-32(37-31)22(3)4)13-14-30(28-17-33(23(5)6)38-34(18-28)24(7)8)29-19-35(25(9)10)39-36(20-29)26(11)12/h21-39H,13-20H2,1-12H3.
What are the key properties of 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine?
4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine has a molecular weight of 545.99 g/mol, XLogP of 8.53, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-bis[2,6-di(propan-2-yl)piperidin-4-yl]propyl]-2,6-di(propan-2-yl)piperidine is sourced from PubChem (CID 121247900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).