1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol

C15H30N2O3 — CID 107263875

IUPAC1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H30N2O3/c1-2-3-8-20-13-15(18)12-16-5-4-14(11-16)17-6-9-19-10-7-17/h14-15,18H,2-13H2,1H3
InChIKeyFZHZEGKEZHMWIE-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.57
Rot. Bonds8

About 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol

1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 107263875) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID107263875
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H30N2O3/c1-2-3-8-20-13-15(18)12-16-5-4-14(11-16)17-6-9-19-10-7-17/h14-15,18H,2-13H2,1H3
InChIKeyFZHZEGKEZHMWIE-UHFFFAOYSA-N
XLogP0.57
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 63171130
1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
CID 63534762
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992685
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65447751
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
1-butoxy-3-[(3S)-3-methylpiperazin-1-yl]propan-2-ol
CID 107264245
1-butoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 107263942
N-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169568
1-(3-butoxy-2-hydroxypropyl)piperidine-4-carbaldehyde
CID 107264386
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol (CID 107263875) is 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol is CCCCOCC(O)CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is FZHZEGKEZHMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-2-3-8-20-13-15(18)12-16-5-4-14(11-16)17-6-9-19-10-7-17/h14-15,18H,2-13H2,1H3.
What are the key properties of 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol?
1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 107263875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).