4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine

C21H40N4O3 — CID 123708016

IUPAC4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine
SMILESCCOC(OC1(N2CCOCC2)CCCN1)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C21H40N4O3/c1-2-27-21(24-12-5-3-6-13-24,25-14-7-4-8-15-25)28-20(10-9-11-22-20)23-16-18-26-19-17-23/h22H,2-19H2,1H3
InChIKeyIMEXPRFDEBIKTL-UHFFFAOYSA-N
MW396.58 g/mol
LogP1.99
Rot. Bonds7

About 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine

4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine (PubChem CID 123708016) has the molecular formula C21H40N4O3 and a molecular weight of 396.58 g/mol. Its IUPAC name is 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine
PubChem CID123708016
Molecular FormulaC21H40N4O3
Molecular Weight396.58 g/mol
Exact Mass396.31
IUPAC Name4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine
SMILESCCOC(OC1(N2CCOCC2)CCCN1)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C21H40N4O3/c1-2-27-21(24-12-5-3-6-13-24,25-14-7-4-8-15-25)28-20(10-9-11-22-20)23-16-18-26-19-17-23/h22H,2-19H2,1H3
InChIKeyIMEXPRFDEBIKTL-UHFFFAOYSA-N
XLogP1.99
TPSA49.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine?
The IUPAC name of 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine (CID 123708016) is 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine.
What is the SMILES notation for 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine?
The canonical SMILES for 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine is CCOC(OC1(N2CCOCC2)CCCN1)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine?
The InChIKey is IMEXPRFDEBIKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O3/c1-2-27-21(24-12-5-3-6-13-24,25-14-7-4-8-15-25)28-20(10-9-11-22-20)23-16-18-26-19-17-23/h22H,2-19H2,1H3.
What are the key properties of 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine?
4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine has a molecular weight of 396.58 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine is sourced from PubChem (CID 123708016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).