4-(1-methylpiperidin-3-yl)-1,4-oxazepane

C11H22N2O — CID 146700414

IUPAC4-(1-methylpiperidin-3-yl)-1,4-oxazepane
SMILESCN1CCCC(N2CCCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-12-5-2-4-11(10-12)13-6-3-8-14-9-7-13/h11H,2-10H2,1H3
InChIKeyQTIUJHJUTJVNEH-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds1

About 4-(1-methylpiperidin-3-yl)-1,4-oxazepane

4-(1-methylpiperidin-3-yl)-1,4-oxazepane (PubChem CID 146700414) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-1,4-oxazepane
PubChem CID146700414
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(1-methylpiperidin-3-yl)-1,4-oxazepane
SMILESCN1CCCC(N2CCCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-12-5-2-4-11(10-12)13-6-3-8-14-9-7-13/h11H,2-10H2,1H3
InChIKeyQTIUJHJUTJVNEH-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-1,4-oxazepane?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-1,4-oxazepane (CID 146700414) is 4-(1-methylpiperidin-3-yl)-1,4-oxazepane.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-1,4-oxazepane?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-1,4-oxazepane is CN1CCCC(N2CCCOCC2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-1,4-oxazepane?
The InChIKey is QTIUJHJUTJVNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-5-2-4-11(10-12)13-6-3-8-14-9-7-13/h11H,2-10H2,1H3.
What are the key properties of 4-(1-methylpiperidin-3-yl)-1,4-oxazepane?
4-(1-methylpiperidin-3-yl)-1,4-oxazepane has a molecular weight of 198.31 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-1,4-oxazepane is sourced from PubChem (CID 146700414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).