2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol

C24H33N3O — CID 54200028

IUPAC2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol
SMILESCC1CN(c2ccccn2)CCN1C1C(C)(C)C(O)(c2ccccc2)C1(C)C
InChIInChI=1S/C24H33N3O/c1-18-17-26(20-13-9-10-14-25-20)15-16-27(18)21-22(2,3)24(28,23(21,4)5)19-11-7-6-8-12-19/h6-14,18,21,28H,15-17H2,1-5H3
InChIKeyPOOJDMXLMPHFMZ-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.91
Rot. Bonds3

About 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol

2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol (PubChem CID 54200028) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol
PubChem CID54200028
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol
SMILESCC1CN(c2ccccn2)CCN1C1C(C)(C)C(O)(c2ccccc2)C1(C)C
InChIInChI=1S/C24H33N3O/c1-18-17-26(20-13-9-10-14-25-20)15-16-27(18)21-22(2,3)24(28,23(21,4)5)19-11-7-6-8-12-19/h6-14,18,21,28H,15-17H2,1-5H3
InChIKeyPOOJDMXLMPHFMZ-UHFFFAOYSA-N
XLogP3.91
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol with MolForge

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Related Compounds

1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
CID 54370065
2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol
CID 54414054
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
2-bromo-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
CID 88880326
(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
CID 163528665
(1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 129487690
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline
CID 174710678
6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline
CID 170641386
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol?
The IUPAC name of 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol (CID 54200028) is 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol is CC1CN(c2ccccn2)CCN1C1C(C)(C)C(O)(c2ccccc2)C1(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol?
The InChIKey is POOJDMXLMPHFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-18-17-26(20-13-9-10-14-25-20)15-16-27(18)21-22(2,3)24(28,23(21,4)5)19-11-7-6-8-12-19/h6-14,18,21,28H,15-17H2,1-5H3.
What are the key properties of 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol?
2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol has a molecular weight of 379.55 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol is sourced from PubChem (CID 54200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).