1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine

C21H42N2O2 — CID 57176008

IUPAC1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine
SMILESCON1C(C)(C)CC(CC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C21H42N2O2/c1-18(2)12-16(13-19(3,4)22(18)24-9)11-17-14-20(5,6)23(25-10)21(7,8)15-17/h16-17H,11-15H2,1-10H3
InChIKeyRUFFTXXOMNKJFW-UHFFFAOYSA-N
MW354.58 g/mol
LogP5.04
Rot. Bonds4

About 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine

1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 57176008) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine
PubChem CID57176008
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine
SMILESCON1C(C)(C)CC(CC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C21H42N2O2/c1-18(2)12-16(13-19(3,4)22(18)24-9)11-17-14-20(5,6)23(25-10)21(7,8)15-17/h16-17H,11-15H2,1-10H3
InChIKeyRUFFTXXOMNKJFW-UHFFFAOYSA-N
XLogP5.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine (CID 57176008) is 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine is CON1C(C)(C)CC(CC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is RUFFTXXOMNKJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-18(2)12-16(13-19(3,4)22(18)24-9)11-17-14-20(5,6)23(25-10)21(7,8)15-17/h16-17H,11-15H2,1-10H3.
What are the key properties of 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine?
1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 354.58 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 57176008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).