4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol

C20H32N2O3 — CID 132777404

IUPAC4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
SMILESCCN1CCC(N2CCOCC(O)(COc3ccccc3C)C2)CC1
InChIInChI=1S/C20H32N2O3/c1-3-21-10-8-18(9-11-21)22-12-13-24-15-20(23,14-22)16-25-19-7-5-4-6-17(19)2/h4-7,18,23H,3,8-16H2,1-2H3
InChIKeyYDZJOHXWFNDSNU-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.92
Rot. Bonds5

About 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol

4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol (PubChem CID 132777404) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
PubChem CID132777404
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
SMILESCCN1CCC(N2CCOCC(O)(COc3ccccc3C)C2)CC1
InChIInChI=1S/C20H32N2O3/c1-3-21-10-8-18(9-11-21)22-12-13-24-15-20(23,14-22)16-25-19-7-5-4-6-17(19)2/h4-7,18,23H,3,8-16H2,1-2H3
InChIKeyYDZJOHXWFNDSNU-UHFFFAOYSA-N
XLogP1.92
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclobutyl-6-[(2,3,5-trimethylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132948445
4-cyclohexyl-6-[(2,3,5-trimethylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132764766
3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
CID 132948174
4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132765235
[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132764680
3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 132948444
(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone
CID 155992819
[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 155992805
1-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-3-imidazol-1-ylpropan-1-one
CID 132765216
4-(4-tert-butylcyclohexyl)-6-[(3,4-difluorophenoxy)methyl]-1,4-oxazepan-6-ol
CID 132771602
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 110900539
4-[(2-methylpyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132764150

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol (CID 132777404) is 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol is CCN1CCC(N2CCOCC(O)(COc3ccccc3C)C2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol?
The InChIKey is YDZJOHXWFNDSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-3-21-10-8-18(9-11-21)22-12-13-24-15-20(23,14-22)16-25-19-7-5-4-6-17(19)2/h4-7,18,23H,3,8-16H2,1-2H3.
What are the key properties of 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol?
4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol has a molecular weight of 348.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 132777404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).