1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol

C17H26N2O3 — CID 109416651

IUPAC1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
SMILESOC(COc1ccc(N2CCCC2)cc1)CN1CCOCC1
InChIInChI=1S/C17H26N2O3/c20-16(13-18-9-11-21-12-10-18)14-22-17-5-3-15(4-6-17)19-7-1-2-8-19/h3-6,16,20H,1-2,7-14H2
InChIKeyILINDVKHMYSPAM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.36
Rot. Bonds6

About 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol

1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol (PubChem CID 109416651) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
PubChem CID109416651
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
SMILESOC(COc1ccc(N2CCCC2)cc1)CN1CCOCC1
InChIInChI=1S/C17H26N2O3/c20-16(13-18-9-11-21-12-10-18)14-22-17-5-3-15(4-6-17)19-7-1-2-8-19/h3-6,16,20H,1-2,7-14H2
InChIKeyILINDVKHMYSPAM-UHFFFAOYSA-N
XLogP1.36
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 125487728
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol (CID 109416651) is 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol is OC(COc1ccc(N2CCCC2)cc1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol?
The InChIKey is ILINDVKHMYSPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-16(13-18-9-11-21-12-10-18)14-22-17-5-3-15(4-6-17)19-7-1-2-8-19/h3-6,16,20H,1-2,7-14H2.
What are the key properties of 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol?
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol has a molecular weight of 306.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol is sourced from PubChem (CID 109416651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).