1-ethyl-4-(3-methoxypropyl)azepan-4-ol

C12H25NO2 — CID 114852274

IUPAC1-ethyl-4-(3-methoxypropyl)azepan-4-ol
SMILESCCN1CCCC(O)(CCCOC)CC1
InChIInChI=1S/C12H25NO2/c1-3-13-9-4-6-12(14,8-10-13)7-5-11-15-2/h14H,3-11H2,1-2H3
InChIKeySKZTUOAFCGVWMR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds5

About 1-ethyl-4-(3-methoxypropyl)azepan-4-ol

1-ethyl-4-(3-methoxypropyl)azepan-4-ol (PubChem CID 114852274) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-ethyl-4-(3-methoxypropyl)azepan-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(3-methoxypropyl)azepan-4-ol
PubChem CID114852274
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-ethyl-4-(3-methoxypropyl)azepan-4-ol
SMILESCCN1CCCC(O)(CCCOC)CC1
InChIInChI=1S/C12H25NO2/c1-3-13-9-4-6-12(14,8-10-13)7-5-11-15-2/h14H,3-11H2,1-2H3
InChIKeySKZTUOAFCGVWMR-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
CID 65153721
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100
4-decyl-1-ethylpiperidin-4-ol
CID 65146691
ethane;1-ethyl-3-(methoxymethyl)piperidin-3-ol
CID 172575983
4-but-3-ynyl-1-ethylpiperidin-4-ol
CID 63656680
1-ethyl-4-(3-methylbutyl)piperidin-4-ol
CID 65146637
3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol
CID 114852220
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
CID 65077660
ethane;4-ethyl-1-(2-methoxyethyl)piperidin-4-ol
CID 170581594
3-(1-ethyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66323197
4-but-3-ynyl-1-propylazepan-4-ol
CID 65077810
ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane
CID 171838330

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methoxypropyl)azepan-4-ol?
The IUPAC name of 1-ethyl-4-(3-methoxypropyl)azepan-4-ol (CID 114852274) is 1-ethyl-4-(3-methoxypropyl)azepan-4-ol.
What is the SMILES notation for 1-ethyl-4-(3-methoxypropyl)azepan-4-ol?
The canonical SMILES for 1-ethyl-4-(3-methoxypropyl)azepan-4-ol is CCN1CCCC(O)(CCCOC)CC1.
What is the InChIKey of 1-ethyl-4-(3-methoxypropyl)azepan-4-ol?
The InChIKey is SKZTUOAFCGVWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-13-9-4-6-12(14,8-10-13)7-5-11-15-2/h14H,3-11H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-methoxypropyl)azepan-4-ol?
1-ethyl-4-(3-methoxypropyl)azepan-4-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methoxypropyl)azepan-4-ol is sourced from PubChem (CID 114852274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).