1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol

C13H20N2O2 — CID 112585414

IUPAC1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCCOCC2)cn1
InChIInChI=1S/C13H20N2O2/c1-2-13(16)12-5-4-11(10-14-12)15-6-3-8-17-9-7-15/h4-5,10,13,16H,2-3,6-9H2,1H3
InChIKeyIIVGTAIGFVRKBU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds3

About 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol

1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol (PubChem CID 112585414) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
PubChem CID112585414
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCCOCC2)cn1
InChIInChI=1S/C13H20N2O2/c1-2-13(16)12-5-4-11(10-14-12)15-6-3-8-17-9-7-15/h4-5,10,13,16H,2-3,6-9H2,1H3
InChIKeyIIVGTAIGFVRKBU-UHFFFAOYSA-N
XLogP1.75
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol with MolForge

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Related Compounds

propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane
CID 172575814
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
CID 107405251
(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
N-methylpropan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 156652466
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
4-[6-(1-ethoxyethyl)-3-pyridinyl]morpholine
CID 134477880
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol (CID 112585414) is 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N2CCCOCC2)cn1.
What is the InChIKey of 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is IIVGTAIGFVRKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-13(16)12-5-4-11(10-14-12)15-6-3-8-17-9-7-15/h4-5,10,13,16H,2-3,6-9H2,1H3.
What are the key properties of 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol?
1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).