4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine

C21H41N7O — CID 141134793

IUPAC4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine
SMILESC1CCN(C2(N3CCNCC3)C(N3CCCC3)NCCN2N2CCOCC2)CC1
InChIInChI=1S/C21H41N7O/c1-2-11-25(12-3-1)21(26-13-6-22-7-14-26)20(24-9-4-5-10-24)23-8-15-28(21)27-16-18-29-19-17-27/h20,22-23H,1-19H2
InChIKeyDNPZYCBYXVTLDD-UHFFFAOYSA-N
MW407.61 g/mol
LogP-0.39
Rot. Bonds4

About 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine

4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine (PubChem CID 141134793) has the molecular formula C21H41N7O and a molecular weight of 407.61 g/mol. Its IUPAC name is 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine.

Molecular Properties

Compound Name4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine
PubChem CID141134793
Molecular FormulaC21H41N7O
Molecular Weight407.61 g/mol
Exact Mass407.34
IUPAC Name4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine
SMILESC1CCN(C2(N3CCNCC3)C(N3CCCC3)NCCN2N2CCOCC2)CC1
InChIInChI=1S/C21H41N7O/c1-2-11-25(12-3-1)21(26-13-6-22-7-14-26)20(24-9-4-5-10-24)23-8-15-28(21)27-16-18-29-19-17-27/h20,22-23H,1-19H2
InChIKeyDNPZYCBYXVTLDD-UHFFFAOYSA-N
XLogP-0.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-Piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 53663701
4-(4-Piperazin-1-ylthiomorpholin-3-yl)-3-piperidin-1-ylmorpholine
CID 53975737
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
N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine
CID 57161988
3-Piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 90694084
4-[3-(4-Methylpiperazin-1-yl)-2-piperidin-1-ylpiperidin-2-yl]morpholine
CID 90903170
4-[3-(4-Methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine
CID 90903647
4-[3-(4-Methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine
CID 91151109
4-(2-Piperazin-1-yl-2-piperidin-1-ylpyrrolidin-3-yl)morpholine
CID 91268362
1-N,1-N'-diethyl-1-N"-(1-methylpiperidin-1-ium-1-yl)-3-morpholin-4-yl-1-N-piperidin-1-yl-1-N"-propyl-1-N'-pyrrolidin-1-ylpropane-1,1,1,3-tetramine
CID 91461042
2-(4-Methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine
CID 123334449

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine?
The IUPAC name of 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine (CID 141134793) is 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine.
What is the SMILES notation for 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine?
The canonical SMILES for 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine is C1CCN(C2(N3CCNCC3)C(N3CCCC3)NCCN2N2CCOCC2)CC1.
What is the InChIKey of 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine?
The InChIKey is DNPZYCBYXVTLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N7O/c1-2-11-25(12-3-1)21(26-13-6-22-7-14-26)20(24-9-4-5-10-24)23-8-15-28(21)27-16-18-29-19-17-27/h20,22-23H,1-19H2.
What are the key properties of 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine?
4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine has a molecular weight of 407.61 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-1-yl)morpholine is sourced from PubChem (CID 141134793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).