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

C27H37N3O — CID 72724527

IUPAC1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)C(c2ccccc2)=NN(c2ccccc2)C1CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C27H37N3O/c1-25(2)18-13-19-26(3,4)30(25)31-20-23-27(5,6)24(21-14-9-7-10-15-21)28-29(23)22-16-11-8-12-17-22/h7-12,14-17,23H,13,18-20H2,1-6H3
InChIKeyNVFAFSJOAYPTTO-UHFFFAOYSA-N
MW419.61 g/mol
LogP6.28
Rot. Bonds5

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

1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 72724527) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID72724527
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC Name1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)C(c2ccccc2)=NN(c2ccccc2)C1CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C27H37N3O/c1-25(2)18-13-19-26(3,4)30(25)31-20-23-27(5,6)24(21-14-9-7-10-15-21)28-29(23)22-16-11-8-12-17-22/h7-12,14-17,23H,13,18-20H2,1-6H3
InChIKeyNVFAFSJOAYPTTO-UHFFFAOYSA-N
XLogP6.28
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine (CID 72724527) is 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)C(c2ccccc2)=NN(c2ccccc2)C1CON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is NVFAFSJOAYPTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-25(2)18-13-19-26(3,4)30(25)31-20-23-27(5,6)24(21-14-9-7-10-15-21)28-29(23)22-16-11-8-12-17-22/h7-12,14-17,23H,13,18-20H2,1-6H3.
What are the key properties of 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine?
1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 419.61 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethyl-2,5-diphenyl-3H-pyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 72724527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).