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

C18H36N6O — CID 90903647

IUPAC4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine
SMILESCN1CCN(C2CCCNC2(N2CCNCC2)N2CCOCC2)CC1
InChIInChI=1S/C18H36N6O/c1-21-9-11-22(12-10-21)17-3-2-4-20-18(17,23-7-5-19-6-8-23)24-13-15-25-16-14-24/h17,19-20H,2-16H2,1H3
InChIKeyIPPPGOXRAWHQPI-UHFFFAOYSA-N
MW352.53 g/mol
LogP-1.12
Rot. Bonds3

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

4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine (PubChem CID 90903647) has the molecular formula C18H36N6O and a molecular weight of 352.53 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine
PubChem CID90903647
Molecular FormulaC18H36N6O
Molecular Weight352.53 g/mol
Exact Mass352.30
IUPAC Name4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine
SMILESCN1CCN(C2CCCNC2(N2CCNCC2)N2CCOCC2)CC1
InChIInChI=1S/C18H36N6O/c1-21-9-11-22(12-10-21)17-3-2-4-20-18(17,23-7-5-19-6-8-23)24-13-15-25-16-14-24/h17,19-20H,2-16H2,1H3
InChIKeyIPPPGOXRAWHQPI-UHFFFAOYSA-N
XLogP-1.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-Ethyl-1,3,5-trimorpholin-4-yl-1,3,5-triazinan-2-yl)ethanamine
CID 17938116
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
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
2-Piperazin-1-yl-2-piperidin-1-ylmorpholine
CID 57222581
4-[2-[3-(2-Morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine
CID 59307204
2-Methylpiperidine;4-(2-piperazin-1-ylethyl)morpholine
CID 68616628

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine (CID 90903647) is 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine is CN1CCN(C2CCCNC2(N2CCNCC2)N2CCOCC2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine?
The InChIKey is IPPPGOXRAWHQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O/c1-21-9-11-22(12-10-21)17-3-2-4-20-18(17,23-7-5-19-6-8-23)24-13-15-25-16-14-24/h17,19-20H,2-16H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine?
4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine has a molecular weight of 352.53 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine is sourced from PubChem (CID 90903647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).