azane;bis(4-piperidin-4-ylmorpholine);hydrate

C18H41N5O3 — CID 159154893

IUPACazane;bis(4-piperidin-4-ylmorpholine);hydrate
SMILESC1CC(N2CCOCC2)CCN1.C1CC(N2CCOCC2)CCN1.N.O
InChIInChI=1S/2C9H18N2O.H3N.H2O/c2*1-3-10-4-2-9(1)11-5-7-12-8-6-11;;/h2*9-10H,1-8H2;1H3;1H2
InChIKeyPIMFRQBWFMABEZ-UHFFFAOYSA-N
MW375.56 g/mol
LogP-0.52
Rot. Bonds2

About azane;bis(4-piperidin-4-ylmorpholine);hydrate

azane;bis(4-piperidin-4-ylmorpholine);hydrate (PubChem CID 159154893) has the molecular formula C18H41N5O3 and a molecular weight of 375.56 g/mol. Its IUPAC name is azane;bis(4-piperidin-4-ylmorpholine);hydrate.

Molecular Properties

Compound Nameazane;bis(4-piperidin-4-ylmorpholine);hydrate
PubChem CID159154893
Molecular FormulaC18H41N5O3
Molecular Weight375.56 g/mol
Exact Mass375.32
IUPAC Nameazane;bis(4-piperidin-4-ylmorpholine);hydrate
SMILESC1CC(N2CCOCC2)CCN1.C1CC(N2CCOCC2)CCN1.N.O
InChIInChI=1S/2C9H18N2O.H3N.H2O/c2*1-3-10-4-2-9(1)11-5-7-12-8-6-11;;/h2*9-10H,1-8H2;1H3;1H2
InChIKeyPIMFRQBWFMABEZ-UHFFFAOYSA-N
XLogP-0.52
TPSA115.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azane;bis(4-piperidin-4-ylmorpholine);hydrate?
The IUPAC name of azane;bis(4-piperidin-4-ylmorpholine);hydrate (CID 159154893) is azane;bis(4-piperidin-4-ylmorpholine);hydrate.
What is the SMILES notation for azane;bis(4-piperidin-4-ylmorpholine);hydrate?
The canonical SMILES for azane;bis(4-piperidin-4-ylmorpholine);hydrate is C1CC(N2CCOCC2)CCN1.C1CC(N2CCOCC2)CCN1.N.O.
What is the InChIKey of azane;bis(4-piperidin-4-ylmorpholine);hydrate?
The InChIKey is PIMFRQBWFMABEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2O.H3N.H2O/c2*1-3-10-4-2-9(1)11-5-7-12-8-6-11;;/h2*9-10H,1-8H2;1H3;1H2.
What are the key properties of azane;bis(4-piperidin-4-ylmorpholine);hydrate?
azane;bis(4-piperidin-4-ylmorpholine);hydrate has a molecular weight of 375.56 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(4-piperidin-4-ylmorpholine);hydrate is sourced from PubChem (CID 159154893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).