4-morpholin-4-ylbutan-2-ol

C8H17NO2 — CID 14555601

IUPAC4-morpholin-4-ylbutan-2-ol
SMILESCC(O)CCN1CCOCC1
InChIInChI=1S/C8H17NO2/c1-8(10)2-3-9-4-6-11-7-5-9/h8,10H,2-7H2,1H3
InChIKeyRHBZAIRQNOBTNS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.09
Rot. Bonds3

About 4-morpholin-4-ylbutan-2-ol

4-morpholin-4-ylbutan-2-ol (PubChem CID 14555601) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name4-morpholin-4-ylbutan-2-ol
PubChem CID14555601
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-morpholin-4-ylbutan-2-ol
SMILESCC(O)CCN1CCOCC1
InChIInChI=1S/C8H17NO2/c1-8(10)2-3-9-4-6-11-7-5-9/h8,10H,2-7H2,1H3
InChIKeyRHBZAIRQNOBTNS-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbutan-2-ol?
The IUPAC name of 4-morpholin-4-ylbutan-2-ol (CID 14555601) is 4-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for 4-morpholin-4-ylbutan-2-ol?
The canonical SMILES for 4-morpholin-4-ylbutan-2-ol is CC(O)CCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutan-2-ol?
The InChIKey is RHBZAIRQNOBTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(10)2-3-9-4-6-11-7-5-9/h8,10H,2-7H2,1H3.
What are the key properties of 4-morpholin-4-ylbutan-2-ol?
4-morpholin-4-ylbutan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 14555601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).