3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

C14H26N2O3 — CID 111103101

IUPAC3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCC1CCCO)N1CCOCC1
InChIInChI=1S/C14H26N2O3/c17-10-2-4-13-3-1-6-15(13)7-5-14(18)16-8-11-19-12-9-16/h13,17H,1-12H2
InChIKeySELJJQLTXDKVKR-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.47
Rot. Bonds6

About 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 111103101) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID111103101
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCC1CCCO)N1CCOCC1
InChIInChI=1S/C14H26N2O3/c17-10-2-4-13-3-1-6-15(13)7-5-14(18)16-8-11-19-12-9-16/h13,17H,1-12H2
InChIKeySELJJQLTXDKVKR-UHFFFAOYSA-N
XLogP0.47
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 115316953
2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 94251916
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
4-[cyclobutyl(3-hydroxypropyl)amino]-1-morpholin-4-ylbutan-1-one
CID 102858461
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 111103101) is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCN1CCCC1CCCO)N1CCOCC1.
What is the InChIKey of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is SELJJQLTXDKVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-10-2-4-13-3-1-6-15(13)7-5-14(18)16-8-11-19-12-9-16/h13,17H,1-12H2.
What are the key properties of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 111103101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).