3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine

C17H33N5O — CID 141089883

IUPAC3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine
SMILESC1CCN(C2(N3CCNCC3)COCCN2N2CCCC2)CC1
InChIInChI=1S/C17H33N5O/c1-2-8-19(9-3-1)17(20-12-6-18-7-13-20)16-23-15-14-22(17)21-10-4-5-11-21/h18H,1-16H2
InChIKeyYEJJXJYAABASFP-UHFFFAOYSA-N
MW323.49 g/mol
LogP0.37
Rot. Bonds3

About 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine

3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine (PubChem CID 141089883) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine.

Molecular Properties

Compound Name3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine
PubChem CID141089883
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine
SMILESC1CCN(C2(N3CCNCC3)COCCN2N2CCCC2)CC1
InChIInChI=1S/C17H33N5O/c1-2-8-19(9-3-1)17(20-12-6-18-7-13-20)16-23-15-14-22(17)21-10-4-5-11-21/h18H,1-16H2
InChIKeyYEJJXJYAABASFP-UHFFFAOYSA-N
XLogP0.37
TPSA34.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-Piperazin-1-ylpiperidin-2-yl)morpholine
CID 22460873
4-(3-Piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 53663701
4-(2-Piperidin-1-ylpiperazin-2-yl)morpholine
CID 54005229
4-(4-Methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 54485847
2,2-Di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine
CID 56631290
1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine
CID 57118991
1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine
CID 57122865
N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine
CID 57161988
2-Piperazin-1-yl-2-piperidin-1-ylmorpholine
CID 57222581
3-Piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 90694084
3-Piperazin-1-yl-3-piperidin-1-ylmorpholine
CID 90735261
4-[3-(4-Methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine
CID 91151109

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine?
The IUPAC name of 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine (CID 141089883) is 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine.
What is the SMILES notation for 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine?
The canonical SMILES for 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine is C1CCN(C2(N3CCNCC3)COCCN2N2CCCC2)CC1.
What is the InChIKey of 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine?
The InChIKey is YEJJXJYAABASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-2-8-19(9-3-1)17(20-12-6-18-7-13-20)16-23-15-14-22(17)21-10-4-5-11-21/h18H,1-16H2.
What are the key properties of 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine?
3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine has a molecular weight of 323.49 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine is sourced from PubChem (CID 141089883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).