2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine

C18H34N4O — CID 56631290

IUPAC2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine
SMILESC1CCN(C2(N3CCCCC3)OCCNC2N2CCCC2)CC1
InChIInChI=1S/C18H34N4O/c1-3-12-21(13-4-1)18(22-14-5-2-6-15-22)17(19-9-16-23-18)20-10-7-8-11-20/h17,19H,1-16H2
InChIKeyMTBQATQNESNTCP-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.65
Rot. Bonds3

About 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine

2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine (PubChem CID 56631290) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine.

Molecular Properties

Compound Name2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine
PubChem CID56631290
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine
SMILESC1CCN(C2(N3CCCCC3)OCCNC2N2CCCC2)CC1
InChIInChI=1S/C18H34N4O/c1-3-12-21(13-4-1)18(22-14-5-2-6-15-22)17(19-9-16-23-18)20-10-7-8-11-20/h17,19H,1-16H2
InChIKeyMTBQATQNESNTCP-UHFFFAOYSA-N
XLogP1.65
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine?
The IUPAC name of 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine (CID 56631290) is 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine.
What is the SMILES notation for 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine?
The canonical SMILES for 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine is C1CCN(C2(N3CCCCC3)OCCNC2N2CCCC2)CC1.
What is the InChIKey of 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine?
The InChIKey is MTBQATQNESNTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-3-12-21(13-4-1)18(22-14-5-2-6-15-22)17(19-9-16-23-18)20-10-7-8-11-20/h17,19H,1-16H2.
What are the key properties of 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine?
2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine has a molecular weight of 322.50 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine is sourced from PubChem (CID 56631290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).