1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol

C23H30ClN3O — CID 54370065

IUPAC1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
SMILESCC1(C)C(N2CCN(c3ccccn3)CC2)C(C)(C)C1(O)c1ccccc1Cl
InChIInChI=1S/C23H30ClN3O/c1-21(2)20(22(3,4)23(21,28)17-9-5-6-10-18(17)24)27-15-13-26(14-16-27)19-11-7-8-12-25-19/h5-12,20,28H,13-16H2,1-4H3
InChIKeyUSNXTKGBNQJUAO-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.18
Rot. Bonds3

About 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol

1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol (PubChem CID 54370065) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
PubChem CID54370065
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
SMILESCC1(C)C(N2CCN(c3ccccn3)CC2)C(C)(C)C1(O)c1ccccc1Cl
InChIInChI=1S/C23H30ClN3O/c1-21(2)20(22(3,4)23(21,28)17-9-5-6-10-18(17)24)27-15-13-26(14-16-27)19-11-7-8-12-25-19/h5-12,20,28H,13-16H2,1-4H3
InChIKeyUSNXTKGBNQJUAO-UHFFFAOYSA-N
XLogP4.18
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol
CID 54414054
1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol
CID 22165594
2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol
CID 54200028
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one
CID 167926790
1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893375
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108532324
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol (CID 54370065) is 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol is CC1(C)C(N2CCN(c3ccccn3)CC2)C(C)(C)C1(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol?
The InChIKey is USNXTKGBNQJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-21(2)20(22(3,4)23(21,28)17-9-5-6-10-18(17)24)27-15-13-26(14-16-27)19-11-7-8-12-25-19/h5-12,20,28H,13-16H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol?
1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol has a molecular weight of 399.97 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol is sourced from PubChem (CID 54370065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).