2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol

C19H30N2O2 — CID 6918291

IUPAC2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)C(CN1CCN(C)CC1)C(C)(C)O2
InChIInChI=1S/C19H30N2O2/c1-12-13(2)18-16(14(3)17(12)22)15(19(4,5)23-18)11-21-9-7-20(6)8-10-21/h15,22H,7-11H2,1-6H3
InChIKeyPDDUBUNHOQKCOS-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.82
Rot. Bonds2

About 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol

2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol (PubChem CID 6918291) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
PubChem CID6918291
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)C(CN1CCN(C)CC1)C(C)(C)O2
InChIInChI=1S/C19H30N2O2/c1-12-13(2)18-16(14(3)17(12)22)15(19(4,5)23-18)11-21-9-7-20(6)8-10-21/h15,22H,7-11H2,1-6H3
InChIKeyPDDUBUNHOQKCOS-UHFFFAOYSA-N
XLogP2.82
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol with MolForge

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Related Compounds

(3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
CID 11782131
(3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-ol;hydrate;dihydrochloride
CID 174392629
2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol
CID 22238256
2,2,6-trimethyl-3-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydrochromen-4-amine
CID 82188315
methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate
CID 10355440
3-(3,3-dimethylbut-1-enyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
CID 142854520
5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol
CID 69055305
2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol
CID 15024206
2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82188328
4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 69053956
(1R,4S,5R,8S,9S,12R,14R)-8,12-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one
CID 908024
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine
CID 131041769

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol?
The IUPAC name of 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol (CID 6918291) is 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol is Cc1c(C)c2c(c(C)c1O)C(CN1CCN(C)CC1)C(C)(C)O2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol?
The InChIKey is PDDUBUNHOQKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-12-13(2)18-16(14(3)17(12)22)15(19(4,5)23-18)11-21-9-7-20(6)8-10-21/h15,22H,7-11H2,1-6H3.
What are the key properties of 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol?
2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol has a molecular weight of 318.46 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol is sourced from PubChem (CID 6918291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).