1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol

C22H34N2O4 — CID 72933855

IUPAC1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cc(CN2CCCCC23CC3)ccc1OCC(O)CN1CCOCC1
InChIInChI=1S/C22H34N2O4/c1-26-21-14-18(15-24-9-3-2-6-22(24)7-8-22)4-5-20(21)28-17-19(25)16-23-10-12-27-13-11-23/h4-5,14,19,25H,2-3,6-13,15-17H2,1H3
InChIKeyBIMSOTOFENCQBJ-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.29
Rot. Bonds8

About 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol

1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 72933855) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID72933855
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cc(CN2CCCCC23CC3)ccc1OCC(O)CN1CCOCC1
InChIInChI=1S/C22H34N2O4/c1-26-21-14-18(15-24-9-3-2-6-22(24)7-8-22)4-5-20(21)28-17-19(25)16-23-10-12-27-13-11-23/h4-5,14,19,25H,2-3,6-13,15-17H2,1H3
InChIKeyBIMSOTOFENCQBJ-UHFFFAOYSA-N
XLogP2.29
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72939166
(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269962
(2R)-1-(azepan-1-yl)-3-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]propan-2-ol
CID 97280602
(2S)-1-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280044
1-[2-methoxy-4-(1,2-oxazolidin-2-ylmethyl)phenoxy]-3-(1,4-oxazepan-4-yl)propan-2-ol
CID 176504622
1-[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72853462
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
(2S)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97284756
1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
1-(4,4-difluoropiperidin-1-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]propan-2-ol
CID 175641337
1-[(2R)-3-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97281091
(2R)-1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 26405119

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol (CID 72933855) is 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol is COc1cc(CN2CCCCC23CC3)ccc1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is BIMSOTOFENCQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-26-21-14-18(15-24-9-3-2-6-22(24)7-8-22)4-5-20(21)28-17-19(25)16-23-10-12-27-13-11-23/h4-5,14,19,25H,2-3,6-13,15-17H2,1H3.
What are the key properties of 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 390.52 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 72933855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).