1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine

C37H56N4O2 — CID 72722571

IUPAC1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)C(c2ccccc2)=NN(c2ccccc2)[C@H]1[C@H](CON1C(C)(C)CCCC1(C)C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C37H56N4O2/c1-33(2)23-17-24-34(3,4)40(33)42-27-30(43-41-35(5,6)25-18-26-36(41,7)8)32-37(9,10)31(28-19-13-11-14-20-28)38-39(32)29-21-15-12-16-22-29/h11-16,19-22,30,32H,17-18,23-27H2,1-10H3/t30-,32-/m0/s1
InChIKeyKRJPNBCEPHDJNV-CDZUIXILSA-N
MW588.88 g/mol
LogP8.62
Rot. Bonds8

About 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine

1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 72722571) has the molecular formula C37H56N4O2 and a molecular weight of 588.88 g/mol. Its IUPAC name is 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID72722571
Molecular FormulaC37H56N4O2
Molecular Weight588.88 g/mol
Exact Mass588.44
IUPAC Name1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)C(c2ccccc2)=NN(c2ccccc2)[C@H]1[C@H](CON1C(C)(C)CCCC1(C)C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C37H56N4O2/c1-33(2)23-17-24-34(3,4)40(33)42-27-30(43-41-35(5,6)25-18-26-36(41,7)8)32-37(9,10)31(28-19-13-11-14-20-28)38-39(32)29-21-15-12-16-22-29/h11-16,19-22,30,32H,17-18,23-27H2,1-10H3/t30-,32-/m0/s1
InChIKeyKRJPNBCEPHDJNV-CDZUIXILSA-N
XLogP8.62
TPSA40.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.88
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine 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 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine (CID 72722571) is 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)C(c2ccccc2)=NN(c2ccccc2)[C@H]1[C@H](CON1C(C)(C)CCCC1(C)C)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is KRJPNBCEPHDJNV-CDZUIXILSA-N. The full InChI is InChI=1S/C37H56N4O2/c1-33(2)23-17-24-34(3,4)40(33)42-27-30(43-41-35(5,6)25-18-26-36(41,7)8)32-37(9,10)31(28-19-13-11-14-20-28)38-39(32)29-21-15-12-16-22-29/h11-16,19-22,30,32H,17-18,23-27H2,1-10H3/t30-,32-/m0/s1.
What are the key properties of 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine?
1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 588.88 g/mol, XLogP of 8.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(3R)-4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 72722571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).