(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol

C18H26N2O5 — CID 26390770

IUPAC(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
SMILESCOc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)[C@H](O)C1)OCO2
InChIInChI=1S/C18H26N2O5/c1-22-16-9-18-17(24-12-25-18)8-13(16)10-19-3-2-14(15(21)11-19)20-4-6-23-7-5-20/h8-9,14-15,21H,2-7,10-12H2,1H3/t14-,15-/m1/s1
InChIKeyYMZVCSUPLGVKIY-HUUCEWRRSA-N
MW350.42 g/mol
LogP0.69
Rot. Bonds4

About (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol

(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol (PubChem CID 26390770) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
PubChem CID26390770
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
SMILESCOc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)[C@H](O)C1)OCO2
InChIInChI=1S/C18H26N2O5/c1-22-16-9-18-17(24-12-25-18)8-13(16)10-19-3-2-14(15(21)11-19)20-4-6-23-7-5-20/h8-9,14-15,21H,2-7,10-12H2,1H3/t14-,15-/m1/s1
InChIKeyYMZVCSUPLGVKIY-HUUCEWRRSA-N
XLogP0.69
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol with MolForge

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Related Compounds

(3S,4S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
CID 77082837
4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70727914
(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 45244684
(3R,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 28739874
1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 91779862
1-[(3R,4S)-4-hydroxy-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134706593
(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134714536
12-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 156609539
1-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-3-yl]piperidine
CID 77086835
[4-[[(3R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97115646
(3S)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethylazepan-3-amine
CID 70779156
(3R,4S)-4-hydroxy-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 163305038

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol (CID 26390770) is (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol is COc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)[C@H](O)C1)OCO2.
What is the InChIKey of (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The InChIKey is YMZVCSUPLGVKIY-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-22-16-9-18-17(24-12-25-18)8-13(16)10-19-3-2-14(15(21)11-19)20-4-6-23-7-5-20/h8-9,14-15,21H,2-7,10-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol has a molecular weight of 350.42 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol is sourced from PubChem (CID 26390770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).