1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

C20H32N2O3 — CID 72859174

IUPAC1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCC1(C)CCCN1Cc1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C20H32N2O3/c1-20(2)7-4-8-22(20)14-17-5-3-6-19(13-17)25-16-18(23)15-21-9-11-24-12-10-21/h3,5-6,13,18,23H,4,7-12,14-16H2,1-2H3
InChIKeyAVNCPPXDWHWBNT-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.13
Rot. Bonds7

About 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 72859174) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID72859174
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCC1(C)CCCN1Cc1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C20H32N2O3/c1-20(2)7-4-8-22(20)14-17-5-3-6-19(13-17)25-16-18(23)15-21-9-11-24-12-10-21/h3,5-6,13,18,23H,4,7-12,14-16H2,1-2H3
InChIKeyAVNCPPXDWHWBNT-UHFFFAOYSA-N
XLogP2.13
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72939166
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
(2S)-1-[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 97273534
1-(azepan-1-yl)-3-[3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenoxy]propan-2-ol
CID 45207449
(2R)-1-(azepan-1-yl)-3-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]propan-2-ol
CID 97280602
(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
CID 97278253
(2R)-1-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 30851994

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 72859174) is 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is CC1(C)CCCN1Cc1cccc(OCC(O)CN2CCOCC2)c1.
What is the InChIKey of 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is AVNCPPXDWHWBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-20(2)7-4-8-22(20)14-17-5-3-6-19(13-17)25-16-18(23)15-21-9-11-24-12-10-21/h3,5-6,13,18,23H,4,7-12,14-16H2,1-2H3.
What are the key properties of 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 348.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 72859174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).