4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one

C13H26N2O3 — CID 62014831

IUPAC4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
SMILESCCCN(CCO)CCCC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-2-5-14(7-10-16)6-3-4-13(17)15-8-11-18-12-9-15/h16H,2-12H2,1H3
InChIKeyXQVGICBDMPFNGD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds8

About 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one

4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one (PubChem CID 62014831) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
PubChem CID62014831
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
SMILESCCCN(CCO)CCCC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-2-5-14(7-10-16)6-3-4-13(17)15-8-11-18-12-9-15/h16H,2-12H2,1H3
InChIKeyXQVGICBDMPFNGD-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 126804088
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 86899016
1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
CID 82042946
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
CID 119518214
2-[2-morpholin-4-ylethyl(propyl)amino]ethanol
CID 60692272
2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid
CID 79273740
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
4-[cyclobutyl(3-hydroxypropyl)amino]-1-morpholin-4-ylbutan-1-one
CID 102858461
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one (CID 62014831) is 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one is CCCN(CCO)CCCC(=O)N1CCOCC1.
What is the InChIKey of 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is XQVGICBDMPFNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-5-14(7-10-16)6-3-4-13(17)15-8-11-18-12-9-15/h16H,2-12H2,1H3.
What are the key properties of 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one?
4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 62014831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).