N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C24H36N4O — CID 16677340

IUPACN-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESC=Cn1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)NC(C)(C)C2)c1C
InChIInChI=1S/C24H36N4O/c1-8-28-18(2)20(15-25-28)17-27(16-19-11-9-10-12-22(19)29-7)21-13-23(3,4)26-24(5,6)14-21/h8-12,15,21,26H,1,13-14,16-17H2,2-7H3
InChIKeyMFZZYKYSMDQHLM-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.61
Rot. Bonds7

About N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 16677340) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID16677340
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESC=Cn1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)NC(C)(C)C2)c1C
InChIInChI=1S/C24H36N4O/c1-8-28-18(2)20(15-25-28)17-27(16-19-11-9-10-12-22(19)29-7)21-13-23(3,4)26-24(5,6)14-21/h8-12,15,21,26H,1,13-14,16-17H2,2-7H3
InChIKeyMFZZYKYSMDQHLM-UHFFFAOYSA-N
XLogP4.61
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 46954417
N-[(2-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 16673149
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 171671981
3-(2,5-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17371039
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289
N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
CID 71891918
[2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol
CID 16676930
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 16677206
N-benzyl-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497024
N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine
CID 46979352
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
CID 89258389

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 16677340) is N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is C=Cn1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)NC(C)(C)C2)c1C.
What is the InChIKey of N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is MFZZYKYSMDQHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-8-28-18(2)20(15-25-28)17-27(16-19-11-9-10-12-22(19)29-7)21-13-23(3,4)26-24(5,6)14-21/h8-12,15,21,26H,1,13-14,16-17H2,2-7H3.
What are the key properties of N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 396.58 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 16677340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).