1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine

C45H88N4 — CID 158160312

IUPAC1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine
SMILESCN1C(C)(C)CC(CC(CC2CC(C)(C)N(C)C(C)(C)C2)(CC2CC(C)(C)N(C)C(C)(C)C2)CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C45H88N4/c1-37(2)21-33(22-38(3,4)46(37)17)29-45(30-34-23-39(5,6)47(18)40(7,8)24-34,31-35-25-41(9,10)48(19)42(11,12)26-35)32-36-27-43(13,14)49(20)44(15,16)28-36/h33-36H,21-32H2,1-20H3
InChIKeyFWEOAUDHRAHHNP-UHFFFAOYSA-N
MW685.23 g/mol
LogP11.13
Rot. Bonds8

About 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine

1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine (PubChem CID 158160312) has the molecular formula C45H88N4 and a molecular weight of 685.23 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine
PubChem CID158160312
Molecular FormulaC45H88N4
Molecular Weight685.23 g/mol
Exact Mass684.70
IUPAC Name1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine
SMILESCN1C(C)(C)CC(CC(CC2CC(C)(C)N(C)C(C)(C)C2)(CC2CC(C)(C)N(C)C(C)(C)C2)CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C45H88N4/c1-37(2)21-33(22-38(3,4)46(37)17)29-45(30-34-23-39(5,6)47(18)40(7,8)24-34,31-35-25-41(9,10)48(19)42(11,12)26-35)32-36-27-43(13,14)49(20)44(15,16)28-36/h33-36H,21-32H2,1-20H3
InChIKeyFWEOAUDHRAHHNP-UHFFFAOYSA-N
XLogP11.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.23
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine (CID 158160312) is 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine is CN1C(C)(C)CC(CC(CC2CC(C)(C)N(C)C(C)(C)C2)(CC2CC(C)(C)N(C)C(C)(C)C2)CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine?
The InChIKey is FWEOAUDHRAHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H88N4/c1-37(2)21-33(22-38(3,4)46(37)17)29-45(30-34-23-39(5,6)47(18)40(7,8)24-34,31-35-25-41(9,10)48(19)42(11,12)26-35)32-36-27-43(13,14)49(20)44(15,16)28-36/h33-36H,21-32H2,1-20H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine?
1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine has a molecular weight of 685.23 g/mol, XLogP of 11.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine is sourced from PubChem (CID 158160312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).