1-morpholin-2-ylbutan-2-ol

C8H17NO2 — CID 57136466

IUPAC1-morpholin-2-ylbutan-2-ol
SMILESCCC(O)CC1CNCCO1
InChIInChI=1S/C8H17NO2/c1-2-7(10)5-8-6-9-3-4-11-8/h7-10H,2-6H2,1H3
InChIKeyKKAQUOUAWJCVLV-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.14
Rot. Bonds3

About 1-morpholin-2-ylbutan-2-ol

1-morpholin-2-ylbutan-2-ol (PubChem CID 57136466) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-morpholin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-morpholin-2-ylbutan-2-ol
PubChem CID57136466
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-morpholin-2-ylbutan-2-ol
SMILESCCC(O)CC1CNCCO1
InChIInChI=1S/C8H17NO2/c1-2-7(10)5-8-6-9-3-4-11-8/h7-10H,2-6H2,1H3
InChIKeyKKAQUOUAWJCVLV-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[(2R)-morpholin-2-yl]methanol;hydrochloride
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N-[(2S)-1-hydroxybutan-2-yl]-2-morpholin-2-ylacetamide
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1-morpholin-2-ylbutan-2-one
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2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride
CID 70617638
3-methyl-1-morpholin-2-ylbutan-2-one
CID 116586136
2-[[(2S)-oxiran-2-yl]methyl]morpholine
CID 87626819
N-(3-ethylpentan-3-yl)-2-morpholin-2-ylacetamide
CID 66428123
2-prop-2-enylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-ylbutan-2-ol?
The IUPAC name of 1-morpholin-2-ylbutan-2-ol (CID 57136466) is 1-morpholin-2-ylbutan-2-ol.
What is the SMILES notation for 1-morpholin-2-ylbutan-2-ol?
The canonical SMILES for 1-morpholin-2-ylbutan-2-ol is CCC(O)CC1CNCCO1.
What is the InChIKey of 1-morpholin-2-ylbutan-2-ol?
The InChIKey is KKAQUOUAWJCVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-7(10)5-8-6-9-3-4-11-8/h7-10H,2-6H2,1H3.
What are the key properties of 1-morpholin-2-ylbutan-2-ol?
1-morpholin-2-ylbutan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylbutan-2-ol is sourced from PubChem (CID 57136466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).