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

C19H30N2O2 — CID 11782131

IUPAC(3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)[C@H](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/t15-/m0/s1
InChIKeyPDDUBUNHOQKCOS-HNNXBMFYSA-N
MW318.46 g/mol
LogP2.82
Rot. Bonds2

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

(3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol (PubChem CID 11782131) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name(3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
PubChem CID11782131
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)[C@H](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/t15-/m0/s1
InChIKeyPDDUBUNHOQKCOS-HNNXBMFYSA-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 (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol?
The IUPAC name of (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol (CID 11782131) is (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol.
What is the SMILES notation for (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol?
The canonical SMILES for (3R)-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@H](CN1CCN(C)CC1)C(C)(C)O2.
What is the InChIKey of (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol?
The InChIKey is PDDUBUNHOQKCOS-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol?
(3R)-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 (3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol is sourced from PubChem (CID 11782131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).