3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol

C21H33N3O3 — CID 132771184

IUPAC3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESOC1(CN2CCOCC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1
InChIInChI=1S/C21H33N3O3/c25-21(17-23-8-12-27-13-9-23)4-5-24(18-21)16-20-3-1-2-19(14-20)15-22-6-10-26-11-7-22/h1-3,14,25H,4-13,15-18H2
InChIKeyWJERZPSIHZHVEX-UHFFFAOYSA-N
MW375.51 g/mol
LogP0.79
Rot. Bonds6

About 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol

3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 132771184) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID132771184
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESOC1(CN2CCOCC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1
InChIInChI=1S/C21H33N3O3/c25-21(17-23-8-12-27-13-9-23)4-5-24(18-21)16-20-3-1-2-19(14-20)15-22-6-10-26-11-7-22/h1-3,14,25H,4-13,15-18H2
InChIKeyWJERZPSIHZHVEX-UHFFFAOYSA-N
XLogP0.79
TPSA48.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129456420
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132779151
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 132780793
1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 131897295
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266
1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70707879
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol (CID 132771184) is 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol is OC1(CN2CCOCC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is WJERZPSIHZHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c25-21(17-23-8-12-27-13-9-23)4-5-24(18-21)16-20-3-1-2-19(14-20)15-22-6-10-26-11-7-22/h1-3,14,25H,4-13,15-18H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol?
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 375.51 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 132771184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).