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

C26H37N3O4 — CID 54414054

IUPAC2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol
SMILESCOc1ccc(C2(O)C(C)(C)C(N3CCN(c4ccccn4)CC3)C2(C)C)c(OC)c1OC
InChIInChI=1S/C26H37N3O4/c1-24(2)23(29-16-14-28(15-17-29)20-10-8-9-13-27-20)25(3,4)26(24,30)18-11-12-19(31-5)22(33-7)21(18)32-6/h8-13,23,30H,14-17H2,1-7H3
InChIKeyVWCWDHNZZSCDCO-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.55
Rot. Bonds6

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

2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol (PubChem CID 54414054) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol
PubChem CID54414054
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol
SMILESCOc1ccc(C2(O)C(C)(C)C(N3CCN(c4ccccn4)CC3)C2(C)C)c(OC)c1OC
InChIInChI=1S/C26H37N3O4/c1-24(2)23(29-16-14-28(15-17-29)20-10-8-9-13-27-20)25(3,4)26(24,30)18-11-12-19(31-5)22(33-7)21(18)32-6/h8-13,23,30H,14-17H2,1-7H3
InChIKeyVWCWDHNZZSCDCO-UHFFFAOYSA-N
XLogP3.55
TPSA67.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-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
1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol
CID 22165594
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166391089
2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 63671263
2,2,4,4-tetramethyl-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-1-phenylcyclobutan-1-ol
CID 54200028
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520
1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-pyridin-2-ylpiperazine
CID 12828463
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol?
The IUPAC name of 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol (CID 54414054) is 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol is COc1ccc(C2(O)C(C)(C)C(N3CCN(c4ccccn4)CC3)C2(C)C)c(OC)c1OC.
What is the InChIKey of 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol?
The InChIKey is VWCWDHNZZSCDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-24(2)23(29-16-14-28(15-17-29)20-10-8-9-13-27-20)25(3,4)26(24,30)18-11-12-19(31-5)22(33-7)21(18)32-6/h8-13,23,30H,14-17H2,1-7H3.
What are the key properties of 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol?
2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol has a molecular weight of 455.60 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol is sourced from PubChem (CID 54414054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).