[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol

C23H29NO4 — CID 42591966

IUPAC[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1cccc(C[C@]2(CO)CCCN(Cc3ccc4c(c3)OCCO4)C2)c1
InChIInChI=1S/C23H29NO4/c1-26-20-5-2-4-18(12-20)14-23(17-25)8-3-9-24(16-23)15-19-6-7-21-22(13-19)28-11-10-27-21/h2,4-7,12-13,25H,3,8-11,14-17H2,1H3/t23-/m1/s1
InChIKeyYDABJGLOBDRACE-HSZRJFAPSA-N
MW383.49 g/mol
LogP3.28
Rot. Bonds6

About [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol

[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 42591966) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
PubChem CID42591966
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1cccc(C[C@]2(CO)CCCN(Cc3ccc4c(c3)OCCO4)C2)c1
InChIInChI=1S/C23H29NO4/c1-26-20-5-2-4-18(12-20)14-23(17-25)8-3-9-24(16-23)15-19-6-7-21-22(13-19)28-11-10-27-21/h2,4-7,12-13,25H,3,8-11,14-17H2,1H3/t23-/m1/s1
InChIKeyYDABJGLOBDRACE-HSZRJFAPSA-N
XLogP3.28
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 25278692
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
2-[[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 45184745
[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25306756
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
3-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034614
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
[1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 74810640
2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
CID 175649184

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol (CID 42591966) is [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol is COc1cccc(C[C@]2(CO)CCCN(Cc3ccc4c(c3)OCCO4)C2)c1.
What is the InChIKey of [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is YDABJGLOBDRACE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29NO4/c1-26-20-5-2-4-18(12-20)14-23(17-25)8-3-9-24(16-23)15-19-6-7-21-22(13-19)28-11-10-27-21/h2,4-7,12-13,25H,3,8-11,14-17H2,1H3/t23-/m1/s1.
What are the key properties of [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 383.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 42591966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).