4-piperidin-4-yl-1,4-oxazepane

C10H20N2O — CID 62989033

IUPAC4-piperidin-4-yl-1,4-oxazepane
SMILESC1COCCN(C2CCNCC2)C1
InChIInChI=1S/C10H20N2O/c1-6-12(7-9-13-8-1)10-2-4-11-5-3-10/h10-11H,1-9H2
InChIKeyUNXHSBLEURHESI-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds1

About 4-piperidin-4-yl-1,4-oxazepane

4-piperidin-4-yl-1,4-oxazepane (PubChem CID 62989033) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-piperidin-4-yl-1,4-oxazepane.

Molecular Properties

Compound Name4-piperidin-4-yl-1,4-oxazepane
PubChem CID62989033
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-piperidin-4-yl-1,4-oxazepane
SMILESC1COCCN(C2CCNCC2)C1
InChIInChI=1S/C10H20N2O/c1-6-12(7-9-13-8-1)10-2-4-11-5-3-10/h10-11H,1-9H2
InChIKeyUNXHSBLEURHESI-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1,4-oxazepane?
The IUPAC name of 4-piperidin-4-yl-1,4-oxazepane (CID 62989033) is 4-piperidin-4-yl-1,4-oxazepane.
What is the SMILES notation for 4-piperidin-4-yl-1,4-oxazepane?
The canonical SMILES for 4-piperidin-4-yl-1,4-oxazepane is C1COCCN(C2CCNCC2)C1.
What is the InChIKey of 4-piperidin-4-yl-1,4-oxazepane?
The InChIKey is UNXHSBLEURHESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-12(7-9-13-8-1)10-2-4-11-5-3-10/h10-11H,1-9H2.
What are the key properties of 4-piperidin-4-yl-1,4-oxazepane?
4-piperidin-4-yl-1,4-oxazepane has a molecular weight of 184.28 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1,4-oxazepane is sourced from PubChem (CID 62989033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).