propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane

C16H28N2O2 — CID 172575814

IUPACpropan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane
SMILESCC(C)O.CC(C)c1ccc(N2CCCOCC2)cn1
InChIInChI=1S/C13H20N2O.C3H8O/c1-11(2)13-5-4-12(10-14-13)15-6-3-8-16-9-7-15;1-3(2)4/h4-5,10-11H,3,6-9H2,1-2H3;3-4H,1-2H3
InChIKeyFXMOGJZWPPYXGN-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.82
Rot. Bonds2

About propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane

propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane (PubChem CID 172575814) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane.

Molecular Properties

Compound Namepropan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane
PubChem CID172575814
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namepropan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane
SMILESCC(C)O.CC(C)c1ccc(N2CCCOCC2)cn1
InChIInChI=1S/C13H20N2O.C3H8O/c1-11(2)13-5-4-12(10-14-13)15-6-3-8-16-9-7-15;1-3(2)4/h4-5,10-11H,3,6-9H2,1-2H3;3-4H,1-2H3
InChIKeyFXMOGJZWPPYXGN-UHFFFAOYSA-N
XLogP2.82
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylpropan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 156652466
propan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 172576033
1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
CID 112585414
1-(6-propan-2-yl-3-pyridinyl)azepane
CID 156651925
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941068
N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
4-[6-(1-ethoxyethyl)-3-pyridinyl]morpholine
CID 134477880
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]propan-1-amine
CID 83122279
2-propan-2-yl-4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 172576254
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
4-(5-propan-2-yl-3-pyridinyl)-1,4-oxazepane
CID 58563215
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042

Frequently Asked Questions

What is the IUPAC name of propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane?
The IUPAC name of propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane (CID 172575814) is propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane.
What is the SMILES notation for propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane?
The canonical SMILES for propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane is CC(C)O.CC(C)c1ccc(N2CCCOCC2)cn1.
What is the InChIKey of propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane?
The InChIKey is FXMOGJZWPPYXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C3H8O/c1-11(2)13-5-4-12(10-14-13)15-6-3-8-16-9-7-15;1-3(2)4/h4-5,10-11H,3,6-9H2,1-2H3;3-4H,1-2H3.
What are the key properties of propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane?
propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane has a molecular weight of 280.41 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane is sourced from PubChem (CID 172575814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).