(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol

C23H27NO4 — CID 134714483

IUPAC(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol
SMILESCOc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C23H27NO4/c1-15-23(16-6-4-3-5-7-16)19-11-21(27-2)18(10-22(19)28-15)12-24-9-8-17(14-25)20(26)13-24/h3-7,10-11,17,20,25-26H,8-9,12-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyGZKQGLMGUZWDPS-XLIONFOSSA-N
MW381.47 g/mol
LogP3.59
Rot. Bonds5

About (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol (PubChem CID 134714483) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol
PubChem CID134714483
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol
SMILESCOc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C23H27NO4/c1-15-23(16-6-4-3-5-7-16)19-11-21(27-2)18(10-22(19)28-15)12-24-9-8-17(14-25)20(26)13-24/h3-7,10-11,17,20,25-26H,8-9,12-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyGZKQGLMGUZWDPS-XLIONFOSSA-N
XLogP3.59
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol with MolForge

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Related Compounds

2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 51633509
5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45206590
(3S,4R)-4-(hydroxymethyl)-1-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 56887437
cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium
CID 7463608
(3R,4R)-1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155492053
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155493220
(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155911283
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
(3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol
CID 155496897
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol (CID 134714483) is (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol is COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CC[C@H](CO)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol?
The InChIKey is GZKQGLMGUZWDPS-XLIONFOSSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15-23(16-6-4-3-5-7-16)19-11-21(27-2)18(10-22(19)28-15)12-24-9-8-17(14-25)20(26)13-24/h3-7,10-11,17,20,25-26H,8-9,12-14H2,1-2H3/t17-,20+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol has a molecular weight of 381.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 134714483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).