4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine

C22H43N7O — CID 91151109

IUPAC4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine
SMILESCN1CCN(C2(N3CCNCC3)CCNC2(N2CCCCC2)N2CCOCC2)CC1
InChIInChI=1S/C22H43N7O/c1-25-13-15-27(16-14-25)21(26-11-7-23-8-12-26)5-6-24-22(21,28-9-3-2-4-10-28)29-17-19-30-20-18-29/h23-24H,2-20H2,1H3
InChIKeyRTTXVYRFRKLHRS-UHFFFAOYSA-N
MW421.63 g/mol
LogP-0.70
Rot. Bonds4

About 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine

4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine (PubChem CID 91151109) has the molecular formula C22H43N7O and a molecular weight of 421.63 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine
PubChem CID91151109
Molecular FormulaC22H43N7O
Molecular Weight421.63 g/mol
Exact Mass421.35
IUPAC Name4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine
SMILESCN1CCN(C2(N3CCNCC3)CCNC2(N2CCCCC2)N2CCOCC2)CC1
InChIInChI=1S/C22H43N7O/c1-25-13-15-27(16-14-25)21(26-11-7-23-8-12-26)5-6-24-22(21,28-9-3-2-4-10-28)29-17-19-30-20-18-29/h23-24H,2-20H2,1H3
InChIKeyRTTXVYRFRKLHRS-UHFFFAOYSA-N
XLogP-0.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.63
LogP ≤ 5-0.70
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-Methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 54485847
4-[6-(4-Butan-2-ylpiperazin-1-yl)-4-butyl-5-(4-ethylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-3-piperidin-1-yl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyrrolidin-1-ylpiperazin-2-yl]morpholine
CID 54563479
2,2-Di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine
CID 56631290
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
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-(2-Piperazin-1-yl-2-piperidin-1-ylpyrrolidin-3-yl)morpholine
CID 91268362
4-[1-[4-(Dimethylamino)piperidin-2-yl]-3-[[2-(dimethylamino)-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]-2-morpholin-4-ylpiperazin-2-yl]piperazin-2-one
CID 91391199
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-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine (CID 91151109) is 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine is CN1CCN(C2(N3CCNCC3)CCNC2(N2CCCCC2)N2CCOCC2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine?
The InChIKey is RTTXVYRFRKLHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N7O/c1-25-13-15-27(16-14-25)21(26-11-7-23-8-12-26)5-6-24-22(21,28-9-3-2-4-10-28)29-17-19-30-20-18-29/h23-24H,2-20H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine?
4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine has a molecular weight of 421.63 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine is sourced from PubChem (CID 91151109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).